Structural diversity of metallacycle intermediates for ethylene dimerization on heterogeneous NiMCM-41 catalyst: a quantum chemical perspective View Full Text


Ontology type: schema:ScholarlyArticle     


Article Info

DATE

2019-02

AUTHORS

Mehdi Ghambarian, Mohammad Ghashghaee, Zahra Azizi, Mahboobeh Balar

ABSTRACT

Nanocluster models were investigated to explore the diversity of metallacycle intermediates for ethylene dimerization over NiMCM-41 at B3LYP/6-311+G* and M06/Def2-TZVP. The thermodynamic favorability of the formation of matallacycle with respect to the ring size of silica varied in the sequence of 6T < 3T < 2T < 5T < 4T in terms of Gibbs free energy (ranging from − 10.01 to 16.66 kcal/mol at B3LYP/6-311+G*). The reaction cycle faced lower barriers on 3T and 2T clusters, however. The formation of the intermediate and π complexation of 1-butene led to positive total charges on the hydrocarbon segment of the complex, being maximized on four-membered sites and minimized on two-membered ones. Further insights are also provided with QTAIM, frontier orbital, and FTIR analyses. More... »

PAGES

1-14

References to SciGraph publications

Identifiers

URI

http://scigraph.springernature.com/pub.10.1007/s11224-018-1184-3

DOI

http://dx.doi.org/10.1007/s11224-018-1184-3

DIMENSIONS

https://app.dimensions.ai/details/publication/pub.1106930152


Indexing Status Check whether this publication has been indexed by Scopus and Web Of Science using the SN Indexing Status Tool
Incoming Citations Browse incoming citations for this publication using opencitations.net

JSON-LD is the canonical representation for SciGraph data.

TIP: You can open this SciGraph record using an external JSON-LD service: JSON-LD Playground Google SDTT

[
  {
    "@context": "https://springernature.github.io/scigraph/jsonld/sgcontext.json", 
    "about": [
      {
        "id": "http://purl.org/au-research/vocabulary/anzsrc-for/2008/0306", 
        "inDefinedTermSet": "http://purl.org/au-research/vocabulary/anzsrc-for/2008/", 
        "name": "Physical Chemistry (incl. Structural)", 
        "type": "DefinedTerm"
      }, 
      {
        "id": "http://purl.org/au-research/vocabulary/anzsrc-for/2008/03", 
        "inDefinedTermSet": "http://purl.org/au-research/vocabulary/anzsrc-for/2008/", 
        "name": "Chemical Sciences", 
        "type": "DefinedTerm"
      }
    ], 
    "author": [
      {
        "affiliation": {
          "alternateName": "Iran Polymer and Petrochemical Institute", 
          "id": "https://www.grid.ac/institutes/grid.419412.b", 
          "name": [
            "Gas Conversion Department, Faculty of Petrochemicals, Iran Polymer and Petrochemical Institute, P.O. Box 14975-112, Tehran, Iran"
          ], 
          "type": "Organization"
        }, 
        "familyName": "Ghambarian", 
        "givenName": "Mehdi", 
        "id": "sg:person.0632261551.04", 
        "sameAs": [
          "https://app.dimensions.ai/discover/publication?and_facet_researcher=ur.0632261551.04"
        ], 
        "type": "Person"
      }, 
      {
        "affiliation": {
          "alternateName": "Iran Polymer and Petrochemical Institute", 
          "id": "https://www.grid.ac/institutes/grid.419412.b", 
          "name": [
            "Faculty of Petrochemicals, Iran Polymer and Petrochemical Institute, P.O. Box 14975-112, Tehran, Iran"
          ], 
          "type": "Organization"
        }, 
        "familyName": "Ghashghaee", 
        "givenName": "Mohammad", 
        "id": "sg:person.012725372721.60", 
        "sameAs": [
          "https://app.dimensions.ai/discover/publication?and_facet_researcher=ur.012725372721.60"
        ], 
        "type": "Person"
      }, 
      {
        "affiliation": {
          "alternateName": "Islamic Azad University , Karaj", 
          "id": "https://www.grid.ac/institutes/grid.411769.c", 
          "name": [
            "Department of Chemistry, Karaj Branch, Islamic Azad University, P.O. Box 31485-313, Karaj, Iran"
          ], 
          "type": "Organization"
        }, 
        "familyName": "Azizi", 
        "givenName": "Zahra", 
        "id": "sg:person.011114073343.10", 
        "sameAs": [
          "https://app.dimensions.ai/discover/publication?and_facet_researcher=ur.011114073343.10"
        ], 
        "type": "Person"
      }, 
      {
        "affiliation": {
          "alternateName": "Islamic Azad University , Karaj", 
          "id": "https://www.grid.ac/institutes/grid.411769.c", 
          "name": [
            "Department of Chemistry, Karaj Branch, Islamic Azad University, P.O. Box 31485-313, Karaj, Iran"
          ], 
          "type": "Organization"
        }, 
        "familyName": "Balar", 
        "givenName": "Mahboobeh", 
        "id": "sg:person.016224203543.41", 
        "sameAs": [
          "https://app.dimensions.ai/discover/publication?and_facet_researcher=ur.016224203543.41"
        ], 
        "type": "Person"
      }
    ], 
    "citation": [
      {
        "id": "https://doi.org/10.1006/jcat.2000.2977", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1000445495"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1016/0926-860x(94)85200-6", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1000480601"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1039/b515623h", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1000860512"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1039/b515623h", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1000860512"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1021/jp508422u", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1002684557"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1201/b18075-14", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1002996545"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "sg:pub.10.1007/s10563-007-9036-y", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1003354619", 
          "https://doi.org/10.1007/s10563-007-9036-y"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "sg:pub.10.1007/s10563-007-9036-y", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1003354619", 
          "https://doi.org/10.1007/s10563-007-9036-y"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1006/jcat.2001.3425", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1004154582"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1039/c4cy00305e", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1004279206"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.3390/molecules16097844", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1004495941"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.3390/molecules16097844", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1004495941"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "sg:pub.10.1007/s40097-016-0208-z", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1005779959", 
          "https://doi.org/10.1007/s40097-016-0208-z"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "sg:pub.10.1007/s40097-016-0208-z", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1005779959", 
          "https://doi.org/10.1007/s40097-016-0208-z"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1016/j.cherd.2010.12.002", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1006955664"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1039/b508541a", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1007773272"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1039/b508541a", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1007773272"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1002/wcms.1100", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1008834307"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1524/zkri.220.5.399.65073", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1009444435"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1524/zkri.220.5.399.65073", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1009444435"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1016/j.cpc.2010.04.018", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1009754618"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1016/j.jaap.2013.03.009", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1011821180"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1107/s0108768102003324", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1012320857"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1016/j.ccr.2013.07.026", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1013328510"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1016/j.apcata.2013.08.021", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1014386178"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1016/s0021-9517(02)00132-x", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1017561428"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1016/s0021-9517(02)00132-x", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1017561428"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1002/ceat.200700326", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1019804258"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1107/s002188980600731x", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1020120347"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1016/s1001-0742(10)60482-2", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1020121055"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1016/j.cplett.2009.02.081", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1020455147"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1016/s0926-860x(96)00420-6", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1021260857"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1016/j.micromeso.2012.12.005", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1021443158"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1021/cr100217q", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1022125192"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1021/cr100217q", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1022125192"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1016/j.molstruc.2016.05.060", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1022440162"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1021/ct100326h", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1022773405"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1021/ct100326h", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1022773405"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1016/0304-5102(93)80138-k", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1023531419"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1107/s0021889807067908", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1023955231"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "sg:pub.10.1007/s00214-007-0310-x", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1024437999", 
          "https://doi.org/10.1007/s00214-007-0310-x"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "sg:pub.10.1007/s00214-007-0310-x", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1024437999", 
          "https://doi.org/10.1007/s00214-007-0310-x"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1002/(sici)1096-987x(199610)17:13<1571::aid-jcc9>3.0.co;2-p", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1025270316"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1016/j.commatsci.2016.03.009", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1025590894"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1016/j.cplett.2003.09.160", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1025655134"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1002/jcc.540040303", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1025841288"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1016/j.theochem.2006.03.048", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1025890505"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1016/0304-5102(87)87024-4", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1028142349"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1002/chem.201101538", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1028799743"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1002/ange.200701199", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1029163191"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1107/s010876810101360x", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1029631844"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "sg:pub.10.1007/s10562-014-1451-x", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1032024992", 
          "https://doi.org/10.1007/s10562-014-1451-x"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "sg:pub.10.1007/s00706-005-0307-x", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1032440966", 
          "https://doi.org/10.1007/s00706-005-0307-x"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1016/s1387-1811(99)00239-5", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1032451046"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1016/j.cherd.2008.07.009", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1034469240"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "sg:pub.10.1140/epjst/e2015-02502-0", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1035295245", 
          "https://doi.org/10.1140/epjst/e2015-02502-0"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1002/ceat.200700028", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1036181215"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1021/ar050040d", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1039184677"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1021/ar050040d", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1039184677"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1002/jcc.22885", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1039587735"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "sg:pub.10.1007/s11224-015-0575-y", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1042783790", 
          "https://doi.org/10.1007/s11224-015-0575-y"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1063/1.464913", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1042899913"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1016/j.jcat.2014.12.027", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1042945638"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1002/cctc.201000286", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1043558294"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1166/eef.2014.1107", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1043832018"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1016/j.micromeso.2012.07.015", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1044028721"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1016/0009-2614(87)80922-3", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1044483857"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1016/s0926-860x(01)00649-4", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1048617824"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1002/anie.200701199", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1049261552"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1016/j.molcata.2008.10.042", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1049400338"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1016/j.catcom.2010.10.018", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1049893190"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1016/j.catcom.2007.05.032", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1050013996"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1080/00268977400100171", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1052168630"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1016/j.jcat.2013.05.007", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1052405734"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1016/j.jcat.2004.04.018", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1052886602"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1021/cr00005a013", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1053962164"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1021/acs.jchemed.5b00160", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1055097597"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1021/acscatal.5b00383", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1055133416"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1021/acscatal.5b01957", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1055133782"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1021/ar1000956", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1055150003"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1021/ar1000956", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1055150003"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1021/ar50085a005", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1055151097"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1021/ef901139u", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1055482582"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1021/ef901139u", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1055482582"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1021/ic00039a025", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1055539344"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1021/j100093a030", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1055652633"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1021/ja00364a005", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1055726577"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1021/ja00527a007", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1055739527"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1021/ja983494x", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1055870930"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1021/jp0009352", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1056042761"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1021/jp0009352", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1056042761"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1021/jp010098j", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1056045445"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1021/jp010098j", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1056045445"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1021/jp0106909", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1056045836"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1021/jp0106909", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1056045836"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1021/jp065911v", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1056068431"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1021/jp065911v", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1056068431"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1021/jp066989e", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1056069090"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1021/jp066989e", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1056069090"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1021/jp1058947", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1056078177"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1021/jp1058947", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1056078177"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1021/jp2103066", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1056086526"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1021/jp303935b", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1056089391"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1021/jp8068333", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1056110385"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1021/jp8068333", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1056110385"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1021/om801166x", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1056281761"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1063/1.1700523", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1057770966"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1063/1.3676410", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1057998226"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1063/1.444267", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1058022289"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1063/1.447079", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1058025099"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1063/1.462569", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1058040580"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1103/physreva.38.3098", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1060478034"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1103/physreva.38.3098", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1060478034"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1103/physrevb.37.785", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1060546104"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1103/physrevb.37.785", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1060546104"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1002/chem.201701615", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1085598688"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1080/00268976.2017.1333644", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1090153531"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1016/j.apcata.2017.07.040", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1090909609"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1515/revce-2017-0003", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1091697155"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1016/j.jcat.2017.08.011", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1091904574"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1016/j.jcat.2017.08.011", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1091904574"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1016/j.jcat.2017.08.011", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1091904574"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1016/j.jcat.2017.08.011", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1091904574"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1080/10916466.2018.1445104", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1101348175"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.29356/jmcs.v61i1.122", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1103068304"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1080/08927022.2018.1465568", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1103641713"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1021/acs.iecr.8b00819", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1103971670"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "sg:pub.10.1134/s1070427218060149", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1106328118", 
          "https://doi.org/10.1134/s1070427218060149"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1002/9783527610709", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1109491994"
        ], 
        "type": "CreativeWork"
      }
    ], 
    "datePublished": "2019-02", 
    "datePublishedReg": "2019-02-01", 
    "description": "Nanocluster models were investigated to explore the diversity of metallacycle intermediates for ethylene dimerization over NiMCM-41 at B3LYP/6-311+G* and M06/Def2-TZVP. The thermodynamic favorability of the formation of matallacycle with respect to the ring size of silica varied in the sequence of 6T < 3T < 2T < 5T < 4T in terms of Gibbs free energy (ranging from \u2212 10.01 to 16.66 kcal/mol at B3LYP/6-311+G*). The reaction cycle faced lower barriers on 3T and 2T clusters, however. The formation of the intermediate and \u03c0 complexation of 1-butene led to positive total charges on the hydrocarbon segment of the complex, being maximized on four-membered sites and minimized on two-membered ones. Further insights are also provided with QTAIM, frontier orbital, and FTIR analyses.", 
    "genre": "research_article", 
    "id": "sg:pub.10.1007/s11224-018-1184-3", 
    "inLanguage": [
      "en"
    ], 
    "isAccessibleForFree": false, 
    "isPartOf": [
      {
        "id": "sg:journal.1046791", 
        "issn": [
          "1040-0400", 
          "1572-9001"
        ], 
        "name": "Structural Chemistry", 
        "type": "Periodical"
      }
    ], 
    "name": "Structural diversity of metallacycle intermediates for ethylene dimerization on heterogeneous NiMCM-41 catalyst: a quantum chemical perspective", 
    "pagination": "1-14", 
    "productId": [
      {
        "name": "readcube_id", 
        "type": "PropertyValue", 
        "value": [
          "2329a7e6cd48ae1e6a5442be4617170d186118e14f8230befe64f58f69ec4d61"
        ]
      }, 
      {
        "name": "doi", 
        "type": "PropertyValue", 
        "value": [
          "10.1007/s11224-018-1184-3"
        ]
      }, 
      {
        "name": "dimensions_id", 
        "type": "PropertyValue", 
        "value": [
          "pub.1106930152"
        ]
      }
    ], 
    "sameAs": [
      "https://doi.org/10.1007/s11224-018-1184-3", 
      "https://app.dimensions.ai/details/publication/pub.1106930152"
    ], 
    "sdDataset": "articles", 
    "sdDatePublished": "2019-04-10T14:24", 
    "sdLicense": "https://scigraph.springernature.com/explorer/license/", 
    "sdPublisher": {
      "name": "Springer Nature - SN SciGraph project", 
      "type": "Organization"
    }, 
    "sdSource": "s3://com-uberresearch-data-dimensions-target-20181106-alternative/cleanup/v134/2549eaecd7973599484d7c17b260dba0a4ecb94b/merge/v9/a6c9fde33151104705d4d7ff012ea9563521a3ce/jats-lookup/v90/0000000001_0000000264/records_8660_00000609.jsonl", 
    "type": "ScholarlyArticle", 
    "url": "https://link.springer.com/10.1007%2Fs11224-018-1184-3"
  }
]
 

Download the RDF metadata as:  json-ld nt turtle xml License info

HOW TO GET THIS DATA PROGRAMMATICALLY:

JSON-LD is a popular format for linked data which is fully compatible with JSON.

curl -H 'Accept: application/ld+json' 'https://scigraph.springernature.com/pub.10.1007/s11224-018-1184-3'

N-Triples is a line-based linked data format ideal for batch operations.

curl -H 'Accept: application/n-triples' 'https://scigraph.springernature.com/pub.10.1007/s11224-018-1184-3'

Turtle is a human-readable linked data format.

curl -H 'Accept: text/turtle' 'https://scigraph.springernature.com/pub.10.1007/s11224-018-1184-3'

RDF/XML is a standard XML format for linked data.

curl -H 'Accept: application/rdf+xml' 'https://scigraph.springernature.com/pub.10.1007/s11224-018-1184-3'


 

This table displays all metadata directly associated to this object as RDF triples.

400 TRIPLES      21 PREDICATES      129 URIs      17 LITERALS      5 BLANK NODES

Subject Predicate Object
1 sg:pub.10.1007/s11224-018-1184-3 schema:about anzsrc-for:03
2 anzsrc-for:0306
3 schema:author N40d79dd6fc224778aeddb314b359f31b
4 schema:citation sg:pub.10.1007/s00214-007-0310-x
5 sg:pub.10.1007/s00706-005-0307-x
6 sg:pub.10.1007/s10562-014-1451-x
7 sg:pub.10.1007/s10563-007-9036-y
8 sg:pub.10.1007/s11224-015-0575-y
9 sg:pub.10.1007/s40097-016-0208-z
10 sg:pub.10.1134/s1070427218060149
11 sg:pub.10.1140/epjst/e2015-02502-0
12 https://doi.org/10.1002/(sici)1096-987x(199610)17:13<1571::aid-jcc9>3.0.co;2-p
13 https://doi.org/10.1002/9783527610709
14 https://doi.org/10.1002/ange.200701199
15 https://doi.org/10.1002/anie.200701199
16 https://doi.org/10.1002/cctc.201000286
17 https://doi.org/10.1002/ceat.200700028
18 https://doi.org/10.1002/ceat.200700326
19 https://doi.org/10.1002/chem.201101538
20 https://doi.org/10.1002/chem.201701615
21 https://doi.org/10.1002/jcc.22885
22 https://doi.org/10.1002/jcc.540040303
23 https://doi.org/10.1002/wcms.1100
24 https://doi.org/10.1006/jcat.2000.2977
25 https://doi.org/10.1006/jcat.2001.3425
26 https://doi.org/10.1016/0009-2614(87)80922-3
27 https://doi.org/10.1016/0304-5102(87)87024-4
28 https://doi.org/10.1016/0304-5102(93)80138-k
29 https://doi.org/10.1016/0926-860x(94)85200-6
30 https://doi.org/10.1016/j.apcata.2013.08.021
31 https://doi.org/10.1016/j.apcata.2017.07.040
32 https://doi.org/10.1016/j.catcom.2007.05.032
33 https://doi.org/10.1016/j.catcom.2010.10.018
34 https://doi.org/10.1016/j.ccr.2013.07.026
35 https://doi.org/10.1016/j.cherd.2008.07.009
36 https://doi.org/10.1016/j.cherd.2010.12.002
37 https://doi.org/10.1016/j.commatsci.2016.03.009
38 https://doi.org/10.1016/j.cpc.2010.04.018
39 https://doi.org/10.1016/j.cplett.2003.09.160
40 https://doi.org/10.1016/j.cplett.2009.02.081
41 https://doi.org/10.1016/j.jaap.2013.03.009
42 https://doi.org/10.1016/j.jcat.2004.04.018
43 https://doi.org/10.1016/j.jcat.2013.05.007
44 https://doi.org/10.1016/j.jcat.2014.12.027
45 https://doi.org/10.1016/j.jcat.2017.08.011
46 https://doi.org/10.1016/j.micromeso.2012.07.015
47 https://doi.org/10.1016/j.micromeso.2012.12.005
48 https://doi.org/10.1016/j.molcata.2008.10.042
49 https://doi.org/10.1016/j.molstruc.2016.05.060
50 https://doi.org/10.1016/j.theochem.2006.03.048
51 https://doi.org/10.1016/s0021-9517(02)00132-x
52 https://doi.org/10.1016/s0926-860x(01)00649-4
53 https://doi.org/10.1016/s0926-860x(96)00420-6
54 https://doi.org/10.1016/s1001-0742(10)60482-2
55 https://doi.org/10.1016/s1387-1811(99)00239-5
56 https://doi.org/10.1021/acs.iecr.8b00819
57 https://doi.org/10.1021/acs.jchemed.5b00160
58 https://doi.org/10.1021/acscatal.5b00383
59 https://doi.org/10.1021/acscatal.5b01957
60 https://doi.org/10.1021/ar050040d
61 https://doi.org/10.1021/ar1000956
62 https://doi.org/10.1021/ar50085a005
63 https://doi.org/10.1021/cr00005a013
64 https://doi.org/10.1021/cr100217q
65 https://doi.org/10.1021/ct100326h
66 https://doi.org/10.1021/ef901139u
67 https://doi.org/10.1021/ic00039a025
68 https://doi.org/10.1021/j100093a030
69 https://doi.org/10.1021/ja00364a005
70 https://doi.org/10.1021/ja00527a007
71 https://doi.org/10.1021/ja983494x
72 https://doi.org/10.1021/jp0009352
73 https://doi.org/10.1021/jp010098j
74 https://doi.org/10.1021/jp0106909
75 https://doi.org/10.1021/jp065911v
76 https://doi.org/10.1021/jp066989e
77 https://doi.org/10.1021/jp1058947
78 https://doi.org/10.1021/jp2103066
79 https://doi.org/10.1021/jp303935b
80 https://doi.org/10.1021/jp508422u
81 https://doi.org/10.1021/jp8068333
82 https://doi.org/10.1021/om801166x
83 https://doi.org/10.1039/b508541a
84 https://doi.org/10.1039/b515623h
85 https://doi.org/10.1039/c4cy00305e
86 https://doi.org/10.1063/1.1700523
87 https://doi.org/10.1063/1.3676410
88 https://doi.org/10.1063/1.444267
89 https://doi.org/10.1063/1.447079
90 https://doi.org/10.1063/1.462569
91 https://doi.org/10.1063/1.464913
92 https://doi.org/10.1080/00268976.2017.1333644
93 https://doi.org/10.1080/00268977400100171
94 https://doi.org/10.1080/08927022.2018.1465568
95 https://doi.org/10.1080/10916466.2018.1445104
96 https://doi.org/10.1103/physreva.38.3098
97 https://doi.org/10.1103/physrevb.37.785
98 https://doi.org/10.1107/s002188980600731x
99 https://doi.org/10.1107/s0021889807067908
100 https://doi.org/10.1107/s010876810101360x
101 https://doi.org/10.1107/s0108768102003324
102 https://doi.org/10.1166/eef.2014.1107
103 https://doi.org/10.1201/b18075-14
104 https://doi.org/10.1515/revce-2017-0003
105 https://doi.org/10.1524/zkri.220.5.399.65073
106 https://doi.org/10.29356/jmcs.v61i1.122
107 https://doi.org/10.3390/molecules16097844
108 schema:datePublished 2019-02
109 schema:datePublishedReg 2019-02-01
110 schema:description Nanocluster models were investigated to explore the diversity of metallacycle intermediates for ethylene dimerization over NiMCM-41 at B3LYP/6-311+G* and M06/Def2-TZVP. The thermodynamic favorability of the formation of matallacycle with respect to the ring size of silica varied in the sequence of 6T < 3T < 2T < 5T < 4T in terms of Gibbs free energy (ranging from − 10.01 to 16.66 kcal/mol at B3LYP/6-311+G*). The reaction cycle faced lower barriers on 3T and 2T clusters, however. The formation of the intermediate and π complexation of 1-butene led to positive total charges on the hydrocarbon segment of the complex, being maximized on four-membered sites and minimized on two-membered ones. Further insights are also provided with QTAIM, frontier orbital, and FTIR analyses.
111 schema:genre research_article
112 schema:inLanguage en
113 schema:isAccessibleForFree false
114 schema:isPartOf sg:journal.1046791
115 schema:name Structural diversity of metallacycle intermediates for ethylene dimerization on heterogeneous NiMCM-41 catalyst: a quantum chemical perspective
116 schema:pagination 1-14
117 schema:productId N05d8ed9ba23d4be0b0d041347d8f8b06
118 N9ce4fa7773804efc84d0f2ab26bb2d8a
119 Ne69be8ad4a9b4ab7a62741644bf36195
120 schema:sameAs https://app.dimensions.ai/details/publication/pub.1106930152
121 https://doi.org/10.1007/s11224-018-1184-3
122 schema:sdDatePublished 2019-04-10T14:24
123 schema:sdLicense https://scigraph.springernature.com/explorer/license/
124 schema:sdPublisher Ncc0409b8506743ff894bd9abc3f23769
125 schema:url https://link.springer.com/10.1007%2Fs11224-018-1184-3
126 sgo:license sg:explorer/license/
127 sgo:sdDataset articles
128 rdf:type schema:ScholarlyArticle
129 N05d8ed9ba23d4be0b0d041347d8f8b06 schema:name dimensions_id
130 schema:value pub.1106930152
131 rdf:type schema:PropertyValue
132 N35eee6dafa0b487eb4d8361243e2c220 rdf:first sg:person.012725372721.60
133 rdf:rest Nd10b93578bfa4ebeab1b262b66a7afb4
134 N40d79dd6fc224778aeddb314b359f31b rdf:first sg:person.0632261551.04
135 rdf:rest N35eee6dafa0b487eb4d8361243e2c220
136 N8761338fc9a74db79605f556cc560e64 rdf:first sg:person.016224203543.41
137 rdf:rest rdf:nil
138 N9ce4fa7773804efc84d0f2ab26bb2d8a schema:name readcube_id
139 schema:value 2329a7e6cd48ae1e6a5442be4617170d186118e14f8230befe64f58f69ec4d61
140 rdf:type schema:PropertyValue
141 Ncc0409b8506743ff894bd9abc3f23769 schema:name Springer Nature - SN SciGraph project
142 rdf:type schema:Organization
143 Nd10b93578bfa4ebeab1b262b66a7afb4 rdf:first sg:person.011114073343.10
144 rdf:rest N8761338fc9a74db79605f556cc560e64
145 Ne69be8ad4a9b4ab7a62741644bf36195 schema:name doi
146 schema:value 10.1007/s11224-018-1184-3
147 rdf:type schema:PropertyValue
148 anzsrc-for:03 schema:inDefinedTermSet anzsrc-for:
149 schema:name Chemical Sciences
150 rdf:type schema:DefinedTerm
151 anzsrc-for:0306 schema:inDefinedTermSet anzsrc-for:
152 schema:name Physical Chemistry (incl. Structural)
153 rdf:type schema:DefinedTerm
154 sg:journal.1046791 schema:issn 1040-0400
155 1572-9001
156 schema:name Structural Chemistry
157 rdf:type schema:Periodical
158 sg:person.011114073343.10 schema:affiliation https://www.grid.ac/institutes/grid.411769.c
159 schema:familyName Azizi
160 schema:givenName Zahra
161 schema:sameAs https://app.dimensions.ai/discover/publication?and_facet_researcher=ur.011114073343.10
162 rdf:type schema:Person
163 sg:person.012725372721.60 schema:affiliation https://www.grid.ac/institutes/grid.419412.b
164 schema:familyName Ghashghaee
165 schema:givenName Mohammad
166 schema:sameAs https://app.dimensions.ai/discover/publication?and_facet_researcher=ur.012725372721.60
167 rdf:type schema:Person
168 sg:person.016224203543.41 schema:affiliation https://www.grid.ac/institutes/grid.411769.c
169 schema:familyName Balar
170 schema:givenName Mahboobeh
171 schema:sameAs https://app.dimensions.ai/discover/publication?and_facet_researcher=ur.016224203543.41
172 rdf:type schema:Person
173 sg:person.0632261551.04 schema:affiliation https://www.grid.ac/institutes/grid.419412.b
174 schema:familyName Ghambarian
175 schema:givenName Mehdi
176 schema:sameAs https://app.dimensions.ai/discover/publication?and_facet_researcher=ur.0632261551.04
177 rdf:type schema:Person
178 sg:pub.10.1007/s00214-007-0310-x schema:sameAs https://app.dimensions.ai/details/publication/pub.1024437999
179 https://doi.org/10.1007/s00214-007-0310-x
180 rdf:type schema:CreativeWork
181 sg:pub.10.1007/s00706-005-0307-x schema:sameAs https://app.dimensions.ai/details/publication/pub.1032440966
182 https://doi.org/10.1007/s00706-005-0307-x
183 rdf:type schema:CreativeWork
184 sg:pub.10.1007/s10562-014-1451-x schema:sameAs https://app.dimensions.ai/details/publication/pub.1032024992
185 https://doi.org/10.1007/s10562-014-1451-x
186 rdf:type schema:CreativeWork
187 sg:pub.10.1007/s10563-007-9036-y schema:sameAs https://app.dimensions.ai/details/publication/pub.1003354619
188 https://doi.org/10.1007/s10563-007-9036-y
189 rdf:type schema:CreativeWork
190 sg:pub.10.1007/s11224-015-0575-y schema:sameAs https://app.dimensions.ai/details/publication/pub.1042783790
191 https://doi.org/10.1007/s11224-015-0575-y
192 rdf:type schema:CreativeWork
193 sg:pub.10.1007/s40097-016-0208-z schema:sameAs https://app.dimensions.ai/details/publication/pub.1005779959
194 https://doi.org/10.1007/s40097-016-0208-z
195 rdf:type schema:CreativeWork
196 sg:pub.10.1134/s1070427218060149 schema:sameAs https://app.dimensions.ai/details/publication/pub.1106328118
197 https://doi.org/10.1134/s1070427218060149
198 rdf:type schema:CreativeWork
199 sg:pub.10.1140/epjst/e2015-02502-0 schema:sameAs https://app.dimensions.ai/details/publication/pub.1035295245
200 https://doi.org/10.1140/epjst/e2015-02502-0
201 rdf:type schema:CreativeWork
202 https://doi.org/10.1002/(sici)1096-987x(199610)17:13<1571::aid-jcc9>3.0.co;2-p schema:sameAs https://app.dimensions.ai/details/publication/pub.1025270316
203 rdf:type schema:CreativeWork
204 https://doi.org/10.1002/9783527610709 schema:sameAs https://app.dimensions.ai/details/publication/pub.1109491994
205 rdf:type schema:CreativeWork
206 https://doi.org/10.1002/ange.200701199 schema:sameAs https://app.dimensions.ai/details/publication/pub.1029163191
207 rdf:type schema:CreativeWork
208 https://doi.org/10.1002/anie.200701199 schema:sameAs https://app.dimensions.ai/details/publication/pub.1049261552
209 rdf:type schema:CreativeWork
210 https://doi.org/10.1002/cctc.201000286 schema:sameAs https://app.dimensions.ai/details/publication/pub.1043558294
211 rdf:type schema:CreativeWork
212 https://doi.org/10.1002/ceat.200700028 schema:sameAs https://app.dimensions.ai/details/publication/pub.1036181215
213 rdf:type schema:CreativeWork
214 https://doi.org/10.1002/ceat.200700326 schema:sameAs https://app.dimensions.ai/details/publication/pub.1019804258
215 rdf:type schema:CreativeWork
216 https://doi.org/10.1002/chem.201101538 schema:sameAs https://app.dimensions.ai/details/publication/pub.1028799743
217 rdf:type schema:CreativeWork
218 https://doi.org/10.1002/chem.201701615 schema:sameAs https://app.dimensions.ai/details/publication/pub.1085598688
219 rdf:type schema:CreativeWork
220 https://doi.org/10.1002/jcc.22885 schema:sameAs https://app.dimensions.ai/details/publication/pub.1039587735
221 rdf:type schema:CreativeWork
222 https://doi.org/10.1002/jcc.540040303 schema:sameAs https://app.dimensions.ai/details/publication/pub.1025841288
223 rdf:type schema:CreativeWork
224 https://doi.org/10.1002/wcms.1100 schema:sameAs https://app.dimensions.ai/details/publication/pub.1008834307
225 rdf:type schema:CreativeWork
226 https://doi.org/10.1006/jcat.2000.2977 schema:sameAs https://app.dimensions.ai/details/publication/pub.1000445495
227 rdf:type schema:CreativeWork
228 https://doi.org/10.1006/jcat.2001.3425 schema:sameAs https://app.dimensions.ai/details/publication/pub.1004154582
229 rdf:type schema:CreativeWork
230 https://doi.org/10.1016/0009-2614(87)80922-3 schema:sameAs https://app.dimensions.ai/details/publication/pub.1044483857
231 rdf:type schema:CreativeWork
232 https://doi.org/10.1016/0304-5102(87)87024-4 schema:sameAs https://app.dimensions.ai/details/publication/pub.1028142349
233 rdf:type schema:CreativeWork
234 https://doi.org/10.1016/0304-5102(93)80138-k schema:sameAs https://app.dimensions.ai/details/publication/pub.1023531419
235 rdf:type schema:CreativeWork
236 https://doi.org/10.1016/0926-860x(94)85200-6 schema:sameAs https://app.dimensions.ai/details/publication/pub.1000480601
237 rdf:type schema:CreativeWork
238 https://doi.org/10.1016/j.apcata.2013.08.021 schema:sameAs https://app.dimensions.ai/details/publication/pub.1014386178
239 rdf:type schema:CreativeWork
240 https://doi.org/10.1016/j.apcata.2017.07.040 schema:sameAs https://app.dimensions.ai/details/publication/pub.1090909609
241 rdf:type schema:CreativeWork
242 https://doi.org/10.1016/j.catcom.2007.05.032 schema:sameAs https://app.dimensions.ai/details/publication/pub.1050013996
243 rdf:type schema:CreativeWork
244 https://doi.org/10.1016/j.catcom.2010.10.018 schema:sameAs https://app.dimensions.ai/details/publication/pub.1049893190
245 rdf:type schema:CreativeWork
246 https://doi.org/10.1016/j.ccr.2013.07.026 schema:sameAs https://app.dimensions.ai/details/publication/pub.1013328510
247 rdf:type schema:CreativeWork
248 https://doi.org/10.1016/j.cherd.2008.07.009 schema:sameAs https://app.dimensions.ai/details/publication/pub.1034469240
249 rdf:type schema:CreativeWork
250 https://doi.org/10.1016/j.cherd.2010.12.002 schema:sameAs https://app.dimensions.ai/details/publication/pub.1006955664
251 rdf:type schema:CreativeWork
252 https://doi.org/10.1016/j.commatsci.2016.03.009 schema:sameAs https://app.dimensions.ai/details/publication/pub.1025590894
253 rdf:type schema:CreativeWork
254 https://doi.org/10.1016/j.cpc.2010.04.018 schema:sameAs https://app.dimensions.ai/details/publication/pub.1009754618
255 rdf:type schema:CreativeWork
256 https://doi.org/10.1016/j.cplett.2003.09.160 schema:sameAs https://app.dimensions.ai/details/publication/pub.1025655134
257 rdf:type schema:CreativeWork
258 https://doi.org/10.1016/j.cplett.2009.02.081 schema:sameAs https://app.dimensions.ai/details/publication/pub.1020455147
259 rdf:type schema:CreativeWork
260 https://doi.org/10.1016/j.jaap.2013.03.009 schema:sameAs https://app.dimensions.ai/details/publication/pub.1011821180
261 rdf:type schema:CreativeWork
262 https://doi.org/10.1016/j.jcat.2004.04.018 schema:sameAs https://app.dimensions.ai/details/publication/pub.1052886602
263 rdf:type schema:CreativeWork
264 https://doi.org/10.1016/j.jcat.2013.05.007 schema:sameAs https://app.dimensions.ai/details/publication/pub.1052405734
265 rdf:type schema:CreativeWork
266 https://doi.org/10.1016/j.jcat.2014.12.027 schema:sameAs https://app.dimensions.ai/details/publication/pub.1042945638
267 rdf:type schema:CreativeWork
268 https://doi.org/10.1016/j.jcat.2017.08.011 schema:sameAs https://app.dimensions.ai/details/publication/pub.1091904574
269 rdf:type schema:CreativeWork
270 https://doi.org/10.1016/j.micromeso.2012.07.015 schema:sameAs https://app.dimensions.ai/details/publication/pub.1044028721
271 rdf:type schema:CreativeWork
272 https://doi.org/10.1016/j.micromeso.2012.12.005 schema:sameAs https://app.dimensions.ai/details/publication/pub.1021443158
273 rdf:type schema:CreativeWork
274 https://doi.org/10.1016/j.molcata.2008.10.042 schema:sameAs https://app.dimensions.ai/details/publication/pub.1049400338
275 rdf:type schema:CreativeWork
276 https://doi.org/10.1016/j.molstruc.2016.05.060 schema:sameAs https://app.dimensions.ai/details/publication/pub.1022440162
277 rdf:type schema:CreativeWork
278 https://doi.org/10.1016/j.theochem.2006.03.048 schema:sameAs https://app.dimensions.ai/details/publication/pub.1025890505
279 rdf:type schema:CreativeWork
280 https://doi.org/10.1016/s0021-9517(02)00132-x schema:sameAs https://app.dimensions.ai/details/publication/pub.1017561428
281 rdf:type schema:CreativeWork
282 https://doi.org/10.1016/s0926-860x(01)00649-4 schema:sameAs https://app.dimensions.ai/details/publication/pub.1048617824
283 rdf:type schema:CreativeWork
284 https://doi.org/10.1016/s0926-860x(96)00420-6 schema:sameAs https://app.dimensions.ai/details/publication/pub.1021260857
285 rdf:type schema:CreativeWork
286 https://doi.org/10.1016/s1001-0742(10)60482-2 schema:sameAs https://app.dimensions.ai/details/publication/pub.1020121055
287 rdf:type schema:CreativeWork
288 https://doi.org/10.1016/s1387-1811(99)00239-5 schema:sameAs https://app.dimensions.ai/details/publication/pub.1032451046
289 rdf:type schema:CreativeWork
290 https://doi.org/10.1021/acs.iecr.8b00819 schema:sameAs https://app.dimensions.ai/details/publication/pub.1103971670
291 rdf:type schema:CreativeWork
292 https://doi.org/10.1021/acs.jchemed.5b00160 schema:sameAs https://app.dimensions.ai/details/publication/pub.1055097597
293 rdf:type schema:CreativeWork
294 https://doi.org/10.1021/acscatal.5b00383 schema:sameAs https://app.dimensions.ai/details/publication/pub.1055133416
295 rdf:type schema:CreativeWork
296 https://doi.org/10.1021/acscatal.5b01957 schema:sameAs https://app.dimensions.ai/details/publication/pub.1055133782
297 rdf:type schema:CreativeWork
298 https://doi.org/10.1021/ar050040d schema:sameAs https://app.dimensions.ai/details/publication/pub.1039184677
299 rdf:type schema:CreativeWork
300 https://doi.org/10.1021/ar1000956 schema:sameAs https://app.dimensions.ai/details/publication/pub.1055150003
301 rdf:type schema:CreativeWork
302 https://doi.org/10.1021/ar50085a005 schema:sameAs https://app.dimensions.ai/details/publication/pub.1055151097
303 rdf:type schema:CreativeWork
304 https://doi.org/10.1021/cr00005a013 schema:sameAs https://app.dimensions.ai/details/publication/pub.1053962164
305 rdf:type schema:CreativeWork
306 https://doi.org/10.1021/cr100217q schema:sameAs https://app.dimensions.ai/details/publication/pub.1022125192
307 rdf:type schema:CreativeWork
308 https://doi.org/10.1021/ct100326h schema:sameAs https://app.dimensions.ai/details/publication/pub.1022773405
309 rdf:type schema:CreativeWork
310 https://doi.org/10.1021/ef901139u schema:sameAs https://app.dimensions.ai/details/publication/pub.1055482582
311 rdf:type schema:CreativeWork
312 https://doi.org/10.1021/ic00039a025 schema:sameAs https://app.dimensions.ai/details/publication/pub.1055539344
313 rdf:type schema:CreativeWork
314 https://doi.org/10.1021/j100093a030 schema:sameAs https://app.dimensions.ai/details/publication/pub.1055652633
315 rdf:type schema:CreativeWork
316 https://doi.org/10.1021/ja00364a005 schema:sameAs https://app.dimensions.ai/details/publication/pub.1055726577
317 rdf:type schema:CreativeWork
318 https://doi.org/10.1021/ja00527a007 schema:sameAs https://app.dimensions.ai/details/publication/pub.1055739527
319 rdf:type schema:CreativeWork
320 https://doi.org/10.1021/ja983494x schema:sameAs https://app.dimensions.ai/details/publication/pub.1055870930
321 rdf:type schema:CreativeWork
322 https://doi.org/10.1021/jp0009352 schema:sameAs https://app.dimensions.ai/details/publication/pub.1056042761
323 rdf:type schema:CreativeWork
324 https://doi.org/10.1021/jp010098j schema:sameAs https://app.dimensions.ai/details/publication/pub.1056045445
325 rdf:type schema:CreativeWork
326 https://doi.org/10.1021/jp0106909 schema:sameAs https://app.dimensions.ai/details/publication/pub.1056045836
327 rdf:type schema:CreativeWork
328 https://doi.org/10.1021/jp065911v schema:sameAs https://app.dimensions.ai/details/publication/pub.1056068431
329 rdf:type schema:CreativeWork
330 https://doi.org/10.1021/jp066989e schema:sameAs https://app.dimensions.ai/details/publication/pub.1056069090
331 rdf:type schema:CreativeWork
332 https://doi.org/10.1021/jp1058947 schema:sameAs https://app.dimensions.ai/details/publication/pub.1056078177
333 rdf:type schema:CreativeWork
334 https://doi.org/10.1021/jp2103066 schema:sameAs https://app.dimensions.ai/details/publication/pub.1056086526
335 rdf:type schema:CreativeWork
336 https://doi.org/10.1021/jp303935b schema:sameAs https://app.dimensions.ai/details/publication/pub.1056089391
337 rdf:type schema:CreativeWork
338 https://doi.org/10.1021/jp508422u schema:sameAs https://app.dimensions.ai/details/publication/pub.1002684557
339 rdf:type schema:CreativeWork
340 https://doi.org/10.1021/jp8068333 schema:sameAs https://app.dimensions.ai/details/publication/pub.1056110385
341 rdf:type schema:CreativeWork
342 https://doi.org/10.1021/om801166x schema:sameAs https://app.dimensions.ai/details/publication/pub.1056281761
343 rdf:type schema:CreativeWork
344 https://doi.org/10.1039/b508541a schema:sameAs https://app.dimensions.ai/details/publication/pub.1007773272
345 rdf:type schema:CreativeWork
346 https://doi.org/10.1039/b515623h schema:sameAs https://app.dimensions.ai/details/publication/pub.1000860512
347 rdf:type schema:CreativeWork
348 https://doi.org/10.1039/c4cy00305e schema:sameAs https://app.dimensions.ai/details/publication/pub.1004279206
349 rdf:type schema:CreativeWork
350 https://doi.org/10.1063/1.1700523 schema:sameAs https://app.dimensions.ai/details/publication/pub.1057770966
351 rdf:type schema:CreativeWork
352 https://doi.org/10.1063/1.3676410 schema:sameAs https://app.dimensions.ai/details/publication/pub.1057998226
353 rdf:type schema:CreativeWork
354 https://doi.org/10.1063/1.444267 schema:sameAs https://app.dimensions.ai/details/publication/pub.1058022289
355 rdf:type schema:CreativeWork
356 https://doi.org/10.1063/1.447079 schema:sameAs https://app.dimensions.ai/details/publication/pub.1058025099
357 rdf:type schema:CreativeWork
358 https://doi.org/10.1063/1.462569 schema:sameAs https://app.dimensions.ai/details/publication/pub.1058040580
359 rdf:type schema:CreativeWork
360 https://doi.org/10.1063/1.464913 schema:sameAs https://app.dimensions.ai/details/publication/pub.1042899913
361 rdf:type schema:CreativeWork
362 https://doi.org/10.1080/00268976.2017.1333644 schema:sameAs https://app.dimensions.ai/details/publication/pub.1090153531
363 rdf:type schema:CreativeWork
364 https://doi.org/10.1080/00268977400100171 schema:sameAs https://app.dimensions.ai/details/publication/pub.1052168630
365 rdf:type schema:CreativeWork
366 https://doi.org/10.1080/08927022.2018.1465568 schema:sameAs https://app.dimensions.ai/details/publication/pub.1103641713
367 rdf:type schema:CreativeWork
368 https://doi.org/10.1080/10916466.2018.1445104 schema:sameAs https://app.dimensions.ai/details/publication/pub.1101348175
369 rdf:type schema:CreativeWork
370 https://doi.org/10.1103/physreva.38.3098 schema:sameAs https://app.dimensions.ai/details/publication/pub.1060478034
371 rdf:type schema:CreativeWork
372 https://doi.org/10.1103/physrevb.37.785 schema:sameAs https://app.dimensions.ai/details/publication/pub.1060546104
373 rdf:type schema:CreativeWork
374 https://doi.org/10.1107/s002188980600731x schema:sameAs https://app.dimensions.ai/details/publication/pub.1020120347
375 rdf:type schema:CreativeWork
376 https://doi.org/10.1107/s0021889807067908 schema:sameAs https://app.dimensions.ai/details/publication/pub.1023955231
377 rdf:type schema:CreativeWork
378 https://doi.org/10.1107/s010876810101360x schema:sameAs https://app.dimensions.ai/details/publication/pub.1029631844
379 rdf:type schema:CreativeWork
380 https://doi.org/10.1107/s0108768102003324 schema:sameAs https://app.dimensions.ai/details/publication/pub.1012320857
381 rdf:type schema:CreativeWork
382 https://doi.org/10.1166/eef.2014.1107 schema:sameAs https://app.dimensions.ai/details/publication/pub.1043832018
383 rdf:type schema:CreativeWork
384 https://doi.org/10.1201/b18075-14 schema:sameAs https://app.dimensions.ai/details/publication/pub.1002996545
385 rdf:type schema:CreativeWork
386 https://doi.org/10.1515/revce-2017-0003 schema:sameAs https://app.dimensions.ai/details/publication/pub.1091697155
387 rdf:type schema:CreativeWork
388 https://doi.org/10.1524/zkri.220.5.399.65073 schema:sameAs https://app.dimensions.ai/details/publication/pub.1009444435
389 rdf:type schema:CreativeWork
390 https://doi.org/10.29356/jmcs.v61i1.122 schema:sameAs https://app.dimensions.ai/details/publication/pub.1103068304
391 rdf:type schema:CreativeWork
392 https://doi.org/10.3390/molecules16097844 schema:sameAs https://app.dimensions.ai/details/publication/pub.1004495941
393 rdf:type schema:CreativeWork
394 https://www.grid.ac/institutes/grid.411769.c schema:alternateName Islamic Azad University , Karaj
395 schema:name Department of Chemistry, Karaj Branch, Islamic Azad University, P.O. Box 31485-313, Karaj, Iran
396 rdf:type schema:Organization
397 https://www.grid.ac/institutes/grid.419412.b schema:alternateName Iran Polymer and Petrochemical Institute
398 schema:name Faculty of Petrochemicals, Iran Polymer and Petrochemical Institute, P.O. Box 14975-112, Tehran, Iran
399 Gas Conversion Department, Faculty of Petrochemicals, Iran Polymer and Petrochemical Institute, P.O. Box 14975-112, Tehran, Iran
400 rdf:type schema:Organization
 




Preview window. Press ESC to close (or click here)


...