Bis(heptalene) “submarine” metal dimer sandwich compounds (C12H10)2M2 (M = Ti, V, Cr, Mn, Fe, Co, Ni) View Full Text


Ontology type: schema:ScholarlyArticle     


Article Info

DATE

2013-07

AUTHORS

Huidong Li, Hao Feng, Weiguo Sun, Qunchao Fan, Yaoming Xie, R. Bruce King, Henry F. Schaefer

ABSTRACT

The bis(heptalene)dimetal complexes (C12H10)2M2 of the first row transition metals from Ti to Ni are predicted by density functional theory to exhibit "submarine" sandwich structures with a pair of metal atoms sandwiched between the two heptalene rings. For the early transition metal derivatives (C12H10)2M2 (M = V, Cr) there are two types of such structures. In one structural type the metals are sandwiched between two heptahapto heptalene rings with metal-metal distances (3.5-3.8 Å) too long for direct metal-metal bonding. The other type of (C12H10)2M2 (M = V, Cr, Mn) structure has a pair of bonded metal atoms sandwiched between a fully bonded heptalene ligand and a heptalene ligand bonded to the metals only through an eight-carbon heptafulvene subunit, leaving an uncomplexed cis-1,3-diene unit. The formal metal-metal bond orders in these latter structures are 3, 2, and 1 for M = V, Cr, and Mn with predicted bond lengths of 2.5, 2.7, and 2.8 Å, respectively. For (C12H10)2Fe2 a singlet structure with each iron atom sandwiched between a hexahapto and a tetrahapto heptalene ring is energetically preferred over an alternate structure with ferrocene-like iron atoms sandwiched between two pentahapto heptalene rings. Partial bonding of each heptalene ring to the metal atoms occurs in the late transition metal derivatives (C12H10)2M2 (M = Co, Ni). This leads to an unsymmetrical structure for the cobalt derivative and a structure for the nickel derivative with each nickel atom sandwiched between a trihapto ligand and a tetrahapto ligand. More... »

PAGES

2723-2737

Identifiers

URI

http://scigraph.springernature.com/pub.10.1007/s00894-012-1540-y

DOI

http://dx.doi.org/10.1007/s00894-012-1540-y

DIMENSIONS

https://app.dimensions.ai/details/publication/pub.1022953274

PUBMED

https://www.ncbi.nlm.nih.gov/pubmed/22890748


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/2008/0302", 
        "inDefinedTermSet": "http://purl.org/au-research/vocabulary/anzsrc-for/2008/", 
        "name": "Inorganic Chemistry", 
        "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"
      }, 
      {
        "inDefinedTermSet": "https://www.nlm.nih.gov/mesh/", 
        "name": "Cobalt", 
        "type": "DefinedTerm"
      }, 
      {
        "inDefinedTermSet": "https://www.nlm.nih.gov/mesh/", 
        "name": "Coordination Complexes", 
        "type": "DefinedTerm"
      }, 
      {
        "inDefinedTermSet": "https://www.nlm.nih.gov/mesh/", 
        "name": "Crystallography, X-Ray", 
        "type": "DefinedTerm"
      }, 
      {
        "inDefinedTermSet": "https://www.nlm.nih.gov/mesh/", 
        "name": "Iron", 
        "type": "DefinedTerm"
      }, 
      {
        "inDefinedTermSet": "https://www.nlm.nih.gov/mesh/", 
        "name": "Ligands", 
        "type": "DefinedTerm"
      }, 
      {
        "inDefinedTermSet": "https://www.nlm.nih.gov/mesh/", 
        "name": "Models, Molecular", 
        "type": "DefinedTerm"
      }, 
      {
        "inDefinedTermSet": "https://www.nlm.nih.gov/mesh/", 
        "name": "Nickel", 
        "type": "DefinedTerm"
      }, 
      {
        "inDefinedTermSet": "https://www.nlm.nih.gov/mesh/", 
        "name": "Polymers", 
        "type": "DefinedTerm"
      }
    ], 
    "author": [
      {
        "affiliation": {
          "alternateName": "Sichuan University", 
          "id": "https://www.grid.ac/institutes/grid.13291.38", 
          "name": [
            "School of Physics and Chemistry, Research Center for Advanced Computation, Xihua University, 610039, Chengdu, China", 
            "Institute of Atomic and Molecular Physics, Sichuan University, 610065, Chengdu, Sichuan, China"
          ], 
          "type": "Organization"
        }, 
        "familyName": "Li", 
        "givenName": "Huidong", 
        "id": "sg:person.01035341743.95", 
        "sameAs": [
          "https://app.dimensions.ai/discover/publication?and_facet_researcher=ur.01035341743.95"
        ], 
        "type": "Person"
      }, 
      {
        "affiliation": {
          "alternateName": "Sichuan University", 
          "id": "https://www.grid.ac/institutes/grid.13291.38", 
          "name": [
            "School of Physics and Chemistry, Research Center for Advanced Computation, Xihua University, 610039, Chengdu, China", 
            "Institute of Atomic and Molecular Physics, Sichuan University, 610065, Chengdu, Sichuan, China"
          ], 
          "type": "Organization"
        }, 
        "familyName": "Feng", 
        "givenName": "Hao", 
        "id": "sg:person.01306701166.28", 
        "sameAs": [
          "https://app.dimensions.ai/discover/publication?and_facet_researcher=ur.01306701166.28"
        ], 
        "type": "Person"
      }, 
      {
        "affiliation": {
          "alternateName": "Sichuan University", 
          "id": "https://www.grid.ac/institutes/grid.13291.38", 
          "name": [
            "School of Physics and Chemistry, Research Center for Advanced Computation, Xihua University, 610039, Chengdu, China", 
            "Institute of Atomic and Molecular Physics, Sichuan University, 610065, Chengdu, Sichuan, China"
          ], 
          "type": "Organization"
        }, 
        "familyName": "Sun", 
        "givenName": "Weiguo", 
        "id": "sg:person.0622372153.52", 
        "sameAs": [
          "https://app.dimensions.ai/discover/publication?and_facet_researcher=ur.0622372153.52"
        ], 
        "type": "Person"
      }, 
      {
        "affiliation": {
          "alternateName": "Xihua University", 
          "id": "https://www.grid.ac/institutes/grid.412983.5", 
          "name": [
            "School of Physics and Chemistry, Research Center for Advanced Computation, Xihua University, 610039, Chengdu, China"
          ], 
          "type": "Organization"
        }, 
        "familyName": "Fan", 
        "givenName": "Qunchao", 
        "id": "sg:person.01346354463.79", 
        "sameAs": [
          "https://app.dimensions.ai/discover/publication?and_facet_researcher=ur.01346354463.79"
        ], 
        "type": "Person"
      }, 
      {
        "affiliation": {
          "alternateName": "University of Georgia", 
          "id": "https://www.grid.ac/institutes/grid.213876.9", 
          "name": [
            "Department of Chemistry and Center for Computational Chemistry, University of Georgia, 30602, Athens, GA, USA"
          ], 
          "type": "Organization"
        }, 
        "familyName": "Xie", 
        "givenName": "Yaoming", 
        "id": "sg:person.0777514341.13", 
        "sameAs": [
          "https://app.dimensions.ai/discover/publication?and_facet_researcher=ur.0777514341.13"
        ], 
        "type": "Person"
      }, 
      {
        "affiliation": {
          "alternateName": "University of Georgia", 
          "id": "https://www.grid.ac/institutes/grid.213876.9", 
          "name": [
            "Department of Chemistry and Center for Computational Chemistry, University of Georgia, 30602, Athens, GA, USA"
          ], 
          "type": "Organization"
        }, 
        "familyName": "King", 
        "givenName": "R. Bruce", 
        "id": "sg:person.01326335116.02", 
        "sameAs": [
          "https://app.dimensions.ai/discover/publication?and_facet_researcher=ur.01326335116.02"
        ], 
        "type": "Person"
      }, 
      {
        "affiliation": {
          "alternateName": "University of Georgia", 
          "id": "https://www.grid.ac/institutes/grid.213876.9", 
          "name": [
            "Department of Chemistry and Center for Computational Chemistry, University of Georgia, 30602, Athens, GA, USA"
          ], 
          "type": "Organization"
        }, 
        "familyName": "Schaefer", 
        "givenName": "Henry F.", 
        "id": "sg:person.01212155175.21", 
        "sameAs": [
          "https://app.dimensions.ai/discover/publication?and_facet_researcher=ur.01212155175.21"
        ], 
        "type": "Person"
      }
    ], 
    "citation": [
      {
        "id": "https://doi.org/10.1016/j.theochem.2006.05.010", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1001525713"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1016/s0040-4020(01)90290-x", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1007886950"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1002/cber.19821150130", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1009328626"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1016/s0022-328x(00)85010-x", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1010752982"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1002/cber.19961291226", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1014325542"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "sg:pub.10.1007/bf01035841", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1017165456", 
          "https://doi.org/10.1007/bf01035841"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "sg:pub.10.1007/bf01035841", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1017165456", 
          "https://doi.org/10.1007/bf01035841"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1021/ja8057138", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1017463351"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1021/ja8057138", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1017463351"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1002/anie.200600110", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1019040772"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1016/s0022-328x(00)91202-6", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1023265976"
        ], 
        "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/zaac.19562840109", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1024874127"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1021/cr0307188", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1030062311"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1021/cr0307188", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1030062311"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1039/jr9520000632", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1030303656"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1039/b614765h", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1031522111"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "sg:pub.10.1038/1681039b0", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1033802766", 
          "https://doi.org/10.1038/1681039b0"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1002/ange.19740862106", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1036711924"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1002/anie.197905451", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1037289180"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1002/ejic.200601172", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1042742271"
        ], 
        "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/10.1002/anie.197407321", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1044858457"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1107/s0567740882001939", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1049293071"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1002/cber.19570900218", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1049713966"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1021/ja203157u", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1051461247"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1021/ja203157u", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1051461247"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "sg:pub.10.1007/s00214-001-0300-3", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1053008121", 
          "https://doi.org/10.1007/s00214-001-0300-3"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1021/ct6001187", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1055425528"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1021/ct6001187", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1055425528"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1021/ic50016a001", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1055567392"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1021/ic50211a052", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1055579843"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1021/ic902395v", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1055585403"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1021/ic902395v", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1055585403"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1021/ja00764a088", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1055745933"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1021/ja00772a053", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1055746629"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1021/ja00887a030", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1055755113"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1021/ja01018a046", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1055761598"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1021/ja01483a038", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1055800842"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1021/ja01528a063", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1055804700"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1021/ja0724947", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1055845034"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1021/ja0724947", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1055845034"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1021/ja101044c", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1055846949"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1021/ja101044c", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1055846949"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1021/ja201665x", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1055849659"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1021/ja201665x", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1055849659"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1021/ja205515u", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1055850470"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1021/ja205515u", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1055850470"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1021/ja9914083", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1055872157"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1021/ja9914083", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1055872157"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1021/om200381p", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1056276811"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1021/om701153t", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1056280811"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1021/om980792u", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1056285410"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1063/1.1493179", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1057712323"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1063/1.1673095", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1057749555"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1063/1.1674408", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1057750867"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1063/1.1696113", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1057767329"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1063/1.438357", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1058016386"
        ], 
        "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.33.8822", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1060540466"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1103/physrevb.33.8822", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1060540466"
        ], 
        "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/10.1515/znb-1955-1201", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1067574204"
        ], 
        "type": "CreativeWork"
      }
    ], 
    "datePublished": "2013-07", 
    "datePublishedReg": "2013-07-01", 
    "description": "The bis(heptalene)dimetal complexes (C12H10)2M2 of the first row transition metals from Ti to Ni are predicted by density functional theory to exhibit \"submarine\" sandwich structures with a pair of metal atoms sandwiched between the two heptalene rings. For the early transition metal derivatives (C12H10)2M2 (M = V, Cr) there are two types of such structures. In one structural type the metals are sandwiched between two heptahapto heptalene rings with metal-metal distances (3.5-3.8 \u00c5) too long for direct metal-metal bonding. The other type of (C12H10)2M2 (M = V, Cr, Mn) structure has a pair of bonded metal atoms sandwiched between a fully bonded heptalene ligand and a heptalene ligand bonded to the metals only through an eight-carbon heptafulvene subunit, leaving an uncomplexed cis-1,3-diene unit. The formal metal-metal bond orders in these latter structures are 3, 2, and 1 for M = V, Cr, and Mn with predicted bond lengths of 2.5, 2.7, and 2.8 \u00c5, respectively. For (C12H10)2Fe2 a singlet structure with each iron atom sandwiched between a hexahapto and a tetrahapto heptalene ring is energetically preferred over an alternate structure with ferrocene-like iron atoms sandwiched between two pentahapto heptalene rings. Partial bonding of each heptalene ring to the metal atoms occurs in the late transition metal derivatives (C12H10)2M2 (M = Co, Ni). This leads to an unsymmetrical structure for the cobalt derivative and a structure for the nickel derivative with each nickel atom sandwiched between a trihapto ligand and a tetrahapto ligand.", 
    "genre": "research_article", 
    "id": "sg:pub.10.1007/s00894-012-1540-y", 
    "inLanguage": [
      "en"
    ], 
    "isAccessibleForFree": false, 
    "isFundedItemOf": [
      {
        "id": "sg:grant.3121519", 
        "type": "MonetaryGrant"
      }, 
      {
        "id": "sg:grant.3109774", 
        "type": "MonetaryGrant"
      }
    ], 
    "isPartOf": [
      {
        "id": "sg:journal.1118122", 
        "issn": [
          "1610-2940", 
          "0948-5023"
        ], 
        "name": "Journal of Molecular Modeling", 
        "type": "Periodical"
      }, 
      {
        "issueNumber": "7", 
        "type": "PublicationIssue"
      }, 
      {
        "type": "PublicationVolume", 
        "volumeNumber": "19"
      }
    ], 
    "name": "Bis(heptalene) \u201csubmarine\u201d metal dimer sandwich compounds (C12H10)2M2 (M = Ti, V, Cr, Mn, Fe, Co, Ni)", 
    "pagination": "2723-2737", 
    "productId": [
      {
        "name": "readcube_id", 
        "type": "PropertyValue", 
        "value": [
          "6d5ab3b4f2446ab057cbdb67da31baadec64d67766f061af323ec5ad7e13cc77"
        ]
      }, 
      {
        "name": "pubmed_id", 
        "type": "PropertyValue", 
        "value": [
          "22890748"
        ]
      }, 
      {
        "name": "nlm_unique_id", 
        "type": "PropertyValue", 
        "value": [
          "9806569"
        ]
      }, 
      {
        "name": "doi", 
        "type": "PropertyValue", 
        "value": [
          "10.1007/s00894-012-1540-y"
        ]
      }, 
      {
        "name": "dimensions_id", 
        "type": "PropertyValue", 
        "value": [
          "pub.1022953274"
        ]
      }
    ], 
    "sameAs": [
      "https://doi.org/10.1007/s00894-012-1540-y", 
      "https://app.dimensions.ai/details/publication/pub.1022953274"
    ], 
    "sdDataset": "articles", 
    "sdDatePublished": "2019-04-10T23:19", 
    "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_8693_00000488.jsonl", 
    "type": "ScholarlyArticle", 
    "url": "http://link.springer.com/10.1007/s00894-012-1540-y"
  }
]
 

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/s00894-012-1540-y'

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/s00894-012-1540-y'

Turtle is a human-readable linked data format.

curl -H 'Accept: text/turtle' 'https://scigraph.springernature.com/pub.10.1007/s00894-012-1540-y'

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

curl -H 'Accept: application/rdf+xml' 'https://scigraph.springernature.com/pub.10.1007/s00894-012-1540-y'


 

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

311 TRIPLES      21 PREDICATES      88 URIs      29 LITERALS      17 BLANK NODES

Subject Predicate Object
1 sg:pub.10.1007/s00894-012-1540-y schema:about N37a6405beb124165af96e18994ede523
2 N45f03bf000e84b5aa7e448fb388f20bb
3 N515b798188004b90b3d4367a73970234
4 N7341e15090064bc5aad5dd510b461b01
5 N8cab6c7b4eb9412fb63a62a38dbc1138
6 Nb60199cdfeb943f2b449b7e9952669c0
7 Nd4bef4c1f1044476a8d2b97f68dc59c4
8 Nef984dabac0c4439b9a3025d5fc70863
9 anzsrc-for:03
10 anzsrc-for:0302
11 schema:author N3156dcfff5d648f8a8db7e7b56abbb4d
12 schema:citation sg:pub.10.1007/bf01035841
13 sg:pub.10.1007/s00214-001-0300-3
14 sg:pub.10.1007/s00214-007-0310-x
15 sg:pub.10.1038/1681039b0
16 https://doi.org/10.1002/ange.19740862106
17 https://doi.org/10.1002/anie.197407321
18 https://doi.org/10.1002/anie.197905451
19 https://doi.org/10.1002/anie.200600110
20 https://doi.org/10.1002/cber.19570900218
21 https://doi.org/10.1002/cber.19821150130
22 https://doi.org/10.1002/cber.19961291226
23 https://doi.org/10.1002/ejic.200601172
24 https://doi.org/10.1002/zaac.19562840109
25 https://doi.org/10.1016/j.theochem.2006.05.010
26 https://doi.org/10.1016/s0022-328x(00)85010-x
27 https://doi.org/10.1016/s0022-328x(00)91202-6
28 https://doi.org/10.1016/s0040-4020(01)90290-x
29 https://doi.org/10.1021/cr0307188
30 https://doi.org/10.1021/ct6001187
31 https://doi.org/10.1021/ic50016a001
32 https://doi.org/10.1021/ic50211a052
33 https://doi.org/10.1021/ic902395v
34 https://doi.org/10.1021/ja00764a088
35 https://doi.org/10.1021/ja00772a053
36 https://doi.org/10.1021/ja00887a030
37 https://doi.org/10.1021/ja01018a046
38 https://doi.org/10.1021/ja01483a038
39 https://doi.org/10.1021/ja01528a063
40 https://doi.org/10.1021/ja0724947
41 https://doi.org/10.1021/ja101044c
42 https://doi.org/10.1021/ja201665x
43 https://doi.org/10.1021/ja203157u
44 https://doi.org/10.1021/ja205515u
45 https://doi.org/10.1021/ja8057138
46 https://doi.org/10.1021/ja9914083
47 https://doi.org/10.1021/om200381p
48 https://doi.org/10.1021/om701153t
49 https://doi.org/10.1021/om980792u
50 https://doi.org/10.1039/b614765h
51 https://doi.org/10.1039/jr9520000632
52 https://doi.org/10.1063/1.1493179
53 https://doi.org/10.1063/1.1673095
54 https://doi.org/10.1063/1.1674408
55 https://doi.org/10.1063/1.1696113
56 https://doi.org/10.1063/1.438357
57 https://doi.org/10.1063/1.464913
58 https://doi.org/10.1103/physreva.38.3098
59 https://doi.org/10.1103/physrevb.33.8822
60 https://doi.org/10.1103/physrevb.37.785
61 https://doi.org/10.1107/s0567740882001939
62 https://doi.org/10.1515/znb-1955-1201
63 schema:datePublished 2013-07
64 schema:datePublishedReg 2013-07-01
65 schema:description The bis(heptalene)dimetal complexes (C12H10)2M2 of the first row transition metals from Ti to Ni are predicted by density functional theory to exhibit "submarine" sandwich structures with a pair of metal atoms sandwiched between the two heptalene rings. For the early transition metal derivatives (C12H10)2M2 (M = V, Cr) there are two types of such structures. In one structural type the metals are sandwiched between two heptahapto heptalene rings with metal-metal distances (3.5-3.8 Å) too long for direct metal-metal bonding. The other type of (C12H10)2M2 (M = V, Cr, Mn) structure has a pair of bonded metal atoms sandwiched between a fully bonded heptalene ligand and a heptalene ligand bonded to the metals only through an eight-carbon heptafulvene subunit, leaving an uncomplexed cis-1,3-diene unit. The formal metal-metal bond orders in these latter structures are 3, 2, and 1 for M = V, Cr, and Mn with predicted bond lengths of 2.5, 2.7, and 2.8 Å, respectively. For (C12H10)2Fe2 a singlet structure with each iron atom sandwiched between a hexahapto and a tetrahapto heptalene ring is energetically preferred over an alternate structure with ferrocene-like iron atoms sandwiched between two pentahapto heptalene rings. Partial bonding of each heptalene ring to the metal atoms occurs in the late transition metal derivatives (C12H10)2M2 (M = Co, Ni). This leads to an unsymmetrical structure for the cobalt derivative and a structure for the nickel derivative with each nickel atom sandwiched between a trihapto ligand and a tetrahapto ligand.
66 schema:genre research_article
67 schema:inLanguage en
68 schema:isAccessibleForFree false
69 schema:isPartOf Nae57ab78587d41099cc55e9fa6fb2aa1
70 Nd60355b69cae4dd798dd224019e6b029
71 sg:journal.1118122
72 schema:name Bis(heptalene) “submarine” metal dimer sandwich compounds (C12H10)2M2 (M = Ti, V, Cr, Mn, Fe, Co, Ni)
73 schema:pagination 2723-2737
74 schema:productId N11b5e32876dd4a53a9d30a499d05a4dd
75 N4b12471fe1944ab59e41dc7aec069749
76 N52f31f1c4e394cf29f9215264f151777
77 Nadbf574a61d8440a8125326beebaaa05
78 Ned062c8ab84a4238b424560fb2667a59
79 schema:sameAs https://app.dimensions.ai/details/publication/pub.1022953274
80 https://doi.org/10.1007/s00894-012-1540-y
81 schema:sdDatePublished 2019-04-10T23:19
82 schema:sdLicense https://scigraph.springernature.com/explorer/license/
83 schema:sdPublisher Nf94b56e728ce4ab699bbe3f578cead15
84 schema:url http://link.springer.com/10.1007/s00894-012-1540-y
85 sgo:license sg:explorer/license/
86 sgo:sdDataset articles
87 rdf:type schema:ScholarlyArticle
88 N11b5e32876dd4a53a9d30a499d05a4dd schema:name pubmed_id
89 schema:value 22890748
90 rdf:type schema:PropertyValue
91 N2609429f9c0e4f628a412432f315d28c rdf:first sg:person.0777514341.13
92 rdf:rest Nf3d1a29183aa49418cff48909d756e1d
93 N3156dcfff5d648f8a8db7e7b56abbb4d rdf:first sg:person.01035341743.95
94 rdf:rest Nf21928500fe44efea06ddd9816fcacf5
95 N37a6405beb124165af96e18994ede523 schema:inDefinedTermSet https://www.nlm.nih.gov/mesh/
96 schema:name Crystallography, X-Ray
97 rdf:type schema:DefinedTerm
98 N45f03bf000e84b5aa7e448fb388f20bb schema:inDefinedTermSet https://www.nlm.nih.gov/mesh/
99 schema:name Models, Molecular
100 rdf:type schema:DefinedTerm
101 N4b12471fe1944ab59e41dc7aec069749 schema:name dimensions_id
102 schema:value pub.1022953274
103 rdf:type schema:PropertyValue
104 N515b798188004b90b3d4367a73970234 schema:inDefinedTermSet https://www.nlm.nih.gov/mesh/
105 schema:name Coordination Complexes
106 rdf:type schema:DefinedTerm
107 N52f31f1c4e394cf29f9215264f151777 schema:name readcube_id
108 schema:value 6d5ab3b4f2446ab057cbdb67da31baadec64d67766f061af323ec5ad7e13cc77
109 rdf:type schema:PropertyValue
110 N7341e15090064bc5aad5dd510b461b01 schema:inDefinedTermSet https://www.nlm.nih.gov/mesh/
111 schema:name Ligands
112 rdf:type schema:DefinedTerm
113 N8cab6c7b4eb9412fb63a62a38dbc1138 schema:inDefinedTermSet https://www.nlm.nih.gov/mesh/
114 schema:name Cobalt
115 rdf:type schema:DefinedTerm
116 Na01fe5839594477e8b73eb04471db1c4 rdf:first sg:person.0622372153.52
117 rdf:rest Nd23873797c2e43f7a496638a93948441
118 Nadbf574a61d8440a8125326beebaaa05 schema:name nlm_unique_id
119 schema:value 9806569
120 rdf:type schema:PropertyValue
121 Nae57ab78587d41099cc55e9fa6fb2aa1 schema:volumeNumber 19
122 rdf:type schema:PublicationVolume
123 Nb60199cdfeb943f2b449b7e9952669c0 schema:inDefinedTermSet https://www.nlm.nih.gov/mesh/
124 schema:name Iron
125 rdf:type schema:DefinedTerm
126 Nd23873797c2e43f7a496638a93948441 rdf:first sg:person.01346354463.79
127 rdf:rest N2609429f9c0e4f628a412432f315d28c
128 Nd4bef4c1f1044476a8d2b97f68dc59c4 schema:inDefinedTermSet https://www.nlm.nih.gov/mesh/
129 schema:name Polymers
130 rdf:type schema:DefinedTerm
131 Nd60355b69cae4dd798dd224019e6b029 schema:issueNumber 7
132 rdf:type schema:PublicationIssue
133 Ne6180d9850a94a27aaaee9becf2856be rdf:first sg:person.01212155175.21
134 rdf:rest rdf:nil
135 Ned062c8ab84a4238b424560fb2667a59 schema:name doi
136 schema:value 10.1007/s00894-012-1540-y
137 rdf:type schema:PropertyValue
138 Nef984dabac0c4439b9a3025d5fc70863 schema:inDefinedTermSet https://www.nlm.nih.gov/mesh/
139 schema:name Nickel
140 rdf:type schema:DefinedTerm
141 Nf21928500fe44efea06ddd9816fcacf5 rdf:first sg:person.01306701166.28
142 rdf:rest Na01fe5839594477e8b73eb04471db1c4
143 Nf3d1a29183aa49418cff48909d756e1d rdf:first sg:person.01326335116.02
144 rdf:rest Ne6180d9850a94a27aaaee9becf2856be
145 Nf94b56e728ce4ab699bbe3f578cead15 schema:name Springer Nature - SN SciGraph project
146 rdf:type schema:Organization
147 anzsrc-for:03 schema:inDefinedTermSet anzsrc-for:
148 schema:name Chemical Sciences
149 rdf:type schema:DefinedTerm
150 anzsrc-for:0302 schema:inDefinedTermSet anzsrc-for:
151 schema:name Inorganic Chemistry
152 rdf:type schema:DefinedTerm
153 sg:grant.3109774 http://pending.schema.org/fundedItem sg:pub.10.1007/s00894-012-1540-y
154 rdf:type schema:MonetaryGrant
155 sg:grant.3121519 http://pending.schema.org/fundedItem sg:pub.10.1007/s00894-012-1540-y
156 rdf:type schema:MonetaryGrant
157 sg:journal.1118122 schema:issn 0948-5023
158 1610-2940
159 schema:name Journal of Molecular Modeling
160 rdf:type schema:Periodical
161 sg:person.01035341743.95 schema:affiliation https://www.grid.ac/institutes/grid.13291.38
162 schema:familyName Li
163 schema:givenName Huidong
164 schema:sameAs https://app.dimensions.ai/discover/publication?and_facet_researcher=ur.01035341743.95
165 rdf:type schema:Person
166 sg:person.01212155175.21 schema:affiliation https://www.grid.ac/institutes/grid.213876.9
167 schema:familyName Schaefer
168 schema:givenName Henry F.
169 schema:sameAs https://app.dimensions.ai/discover/publication?and_facet_researcher=ur.01212155175.21
170 rdf:type schema:Person
171 sg:person.01306701166.28 schema:affiliation https://www.grid.ac/institutes/grid.13291.38
172 schema:familyName Feng
173 schema:givenName Hao
174 schema:sameAs https://app.dimensions.ai/discover/publication?and_facet_researcher=ur.01306701166.28
175 rdf:type schema:Person
176 sg:person.01326335116.02 schema:affiliation https://www.grid.ac/institutes/grid.213876.9
177 schema:familyName King
178 schema:givenName R. Bruce
179 schema:sameAs https://app.dimensions.ai/discover/publication?and_facet_researcher=ur.01326335116.02
180 rdf:type schema:Person
181 sg:person.01346354463.79 schema:affiliation https://www.grid.ac/institutes/grid.412983.5
182 schema:familyName Fan
183 schema:givenName Qunchao
184 schema:sameAs https://app.dimensions.ai/discover/publication?and_facet_researcher=ur.01346354463.79
185 rdf:type schema:Person
186 sg:person.0622372153.52 schema:affiliation https://www.grid.ac/institutes/grid.13291.38
187 schema:familyName Sun
188 schema:givenName Weiguo
189 schema:sameAs https://app.dimensions.ai/discover/publication?and_facet_researcher=ur.0622372153.52
190 rdf:type schema:Person
191 sg:person.0777514341.13 schema:affiliation https://www.grid.ac/institutes/grid.213876.9
192 schema:familyName Xie
193 schema:givenName Yaoming
194 schema:sameAs https://app.dimensions.ai/discover/publication?and_facet_researcher=ur.0777514341.13
195 rdf:type schema:Person
196 sg:pub.10.1007/bf01035841 schema:sameAs https://app.dimensions.ai/details/publication/pub.1017165456
197 https://doi.org/10.1007/bf01035841
198 rdf:type schema:CreativeWork
199 sg:pub.10.1007/s00214-001-0300-3 schema:sameAs https://app.dimensions.ai/details/publication/pub.1053008121
200 https://doi.org/10.1007/s00214-001-0300-3
201 rdf:type schema:CreativeWork
202 sg:pub.10.1007/s00214-007-0310-x schema:sameAs https://app.dimensions.ai/details/publication/pub.1024437999
203 https://doi.org/10.1007/s00214-007-0310-x
204 rdf:type schema:CreativeWork
205 sg:pub.10.1038/1681039b0 schema:sameAs https://app.dimensions.ai/details/publication/pub.1033802766
206 https://doi.org/10.1038/1681039b0
207 rdf:type schema:CreativeWork
208 https://doi.org/10.1002/ange.19740862106 schema:sameAs https://app.dimensions.ai/details/publication/pub.1036711924
209 rdf:type schema:CreativeWork
210 https://doi.org/10.1002/anie.197407321 schema:sameAs https://app.dimensions.ai/details/publication/pub.1044858457
211 rdf:type schema:CreativeWork
212 https://doi.org/10.1002/anie.197905451 schema:sameAs https://app.dimensions.ai/details/publication/pub.1037289180
213 rdf:type schema:CreativeWork
214 https://doi.org/10.1002/anie.200600110 schema:sameAs https://app.dimensions.ai/details/publication/pub.1019040772
215 rdf:type schema:CreativeWork
216 https://doi.org/10.1002/cber.19570900218 schema:sameAs https://app.dimensions.ai/details/publication/pub.1049713966
217 rdf:type schema:CreativeWork
218 https://doi.org/10.1002/cber.19821150130 schema:sameAs https://app.dimensions.ai/details/publication/pub.1009328626
219 rdf:type schema:CreativeWork
220 https://doi.org/10.1002/cber.19961291226 schema:sameAs https://app.dimensions.ai/details/publication/pub.1014325542
221 rdf:type schema:CreativeWork
222 https://doi.org/10.1002/ejic.200601172 schema:sameAs https://app.dimensions.ai/details/publication/pub.1042742271
223 rdf:type schema:CreativeWork
224 https://doi.org/10.1002/zaac.19562840109 schema:sameAs https://app.dimensions.ai/details/publication/pub.1024874127
225 rdf:type schema:CreativeWork
226 https://doi.org/10.1016/j.theochem.2006.05.010 schema:sameAs https://app.dimensions.ai/details/publication/pub.1001525713
227 rdf:type schema:CreativeWork
228 https://doi.org/10.1016/s0022-328x(00)85010-x schema:sameAs https://app.dimensions.ai/details/publication/pub.1010752982
229 rdf:type schema:CreativeWork
230 https://doi.org/10.1016/s0022-328x(00)91202-6 schema:sameAs https://app.dimensions.ai/details/publication/pub.1023265976
231 rdf:type schema:CreativeWork
232 https://doi.org/10.1016/s0040-4020(01)90290-x schema:sameAs https://app.dimensions.ai/details/publication/pub.1007886950
233 rdf:type schema:CreativeWork
234 https://doi.org/10.1021/cr0307188 schema:sameAs https://app.dimensions.ai/details/publication/pub.1030062311
235 rdf:type schema:CreativeWork
236 https://doi.org/10.1021/ct6001187 schema:sameAs https://app.dimensions.ai/details/publication/pub.1055425528
237 rdf:type schema:CreativeWork
238 https://doi.org/10.1021/ic50016a001 schema:sameAs https://app.dimensions.ai/details/publication/pub.1055567392
239 rdf:type schema:CreativeWork
240 https://doi.org/10.1021/ic50211a052 schema:sameAs https://app.dimensions.ai/details/publication/pub.1055579843
241 rdf:type schema:CreativeWork
242 https://doi.org/10.1021/ic902395v schema:sameAs https://app.dimensions.ai/details/publication/pub.1055585403
243 rdf:type schema:CreativeWork
244 https://doi.org/10.1021/ja00764a088 schema:sameAs https://app.dimensions.ai/details/publication/pub.1055745933
245 rdf:type schema:CreativeWork
246 https://doi.org/10.1021/ja00772a053 schema:sameAs https://app.dimensions.ai/details/publication/pub.1055746629
247 rdf:type schema:CreativeWork
248 https://doi.org/10.1021/ja00887a030 schema:sameAs https://app.dimensions.ai/details/publication/pub.1055755113
249 rdf:type schema:CreativeWork
250 https://doi.org/10.1021/ja01018a046 schema:sameAs https://app.dimensions.ai/details/publication/pub.1055761598
251 rdf:type schema:CreativeWork
252 https://doi.org/10.1021/ja01483a038 schema:sameAs https://app.dimensions.ai/details/publication/pub.1055800842
253 rdf:type schema:CreativeWork
254 https://doi.org/10.1021/ja01528a063 schema:sameAs https://app.dimensions.ai/details/publication/pub.1055804700
255 rdf:type schema:CreativeWork
256 https://doi.org/10.1021/ja0724947 schema:sameAs https://app.dimensions.ai/details/publication/pub.1055845034
257 rdf:type schema:CreativeWork
258 https://doi.org/10.1021/ja101044c schema:sameAs https://app.dimensions.ai/details/publication/pub.1055846949
259 rdf:type schema:CreativeWork
260 https://doi.org/10.1021/ja201665x schema:sameAs https://app.dimensions.ai/details/publication/pub.1055849659
261 rdf:type schema:CreativeWork
262 https://doi.org/10.1021/ja203157u schema:sameAs https://app.dimensions.ai/details/publication/pub.1051461247
263 rdf:type schema:CreativeWork
264 https://doi.org/10.1021/ja205515u schema:sameAs https://app.dimensions.ai/details/publication/pub.1055850470
265 rdf:type schema:CreativeWork
266 https://doi.org/10.1021/ja8057138 schema:sameAs https://app.dimensions.ai/details/publication/pub.1017463351
267 rdf:type schema:CreativeWork
268 https://doi.org/10.1021/ja9914083 schema:sameAs https://app.dimensions.ai/details/publication/pub.1055872157
269 rdf:type schema:CreativeWork
270 https://doi.org/10.1021/om200381p schema:sameAs https://app.dimensions.ai/details/publication/pub.1056276811
271 rdf:type schema:CreativeWork
272 https://doi.org/10.1021/om701153t schema:sameAs https://app.dimensions.ai/details/publication/pub.1056280811
273 rdf:type schema:CreativeWork
274 https://doi.org/10.1021/om980792u schema:sameAs https://app.dimensions.ai/details/publication/pub.1056285410
275 rdf:type schema:CreativeWork
276 https://doi.org/10.1039/b614765h schema:sameAs https://app.dimensions.ai/details/publication/pub.1031522111
277 rdf:type schema:CreativeWork
278 https://doi.org/10.1039/jr9520000632 schema:sameAs https://app.dimensions.ai/details/publication/pub.1030303656
279 rdf:type schema:CreativeWork
280 https://doi.org/10.1063/1.1493179 schema:sameAs https://app.dimensions.ai/details/publication/pub.1057712323
281 rdf:type schema:CreativeWork
282 https://doi.org/10.1063/1.1673095 schema:sameAs https://app.dimensions.ai/details/publication/pub.1057749555
283 rdf:type schema:CreativeWork
284 https://doi.org/10.1063/1.1674408 schema:sameAs https://app.dimensions.ai/details/publication/pub.1057750867
285 rdf:type schema:CreativeWork
286 https://doi.org/10.1063/1.1696113 schema:sameAs https://app.dimensions.ai/details/publication/pub.1057767329
287 rdf:type schema:CreativeWork
288 https://doi.org/10.1063/1.438357 schema:sameAs https://app.dimensions.ai/details/publication/pub.1058016386
289 rdf:type schema:CreativeWork
290 https://doi.org/10.1063/1.464913 schema:sameAs https://app.dimensions.ai/details/publication/pub.1042899913
291 rdf:type schema:CreativeWork
292 https://doi.org/10.1103/physreva.38.3098 schema:sameAs https://app.dimensions.ai/details/publication/pub.1060478034
293 rdf:type schema:CreativeWork
294 https://doi.org/10.1103/physrevb.33.8822 schema:sameAs https://app.dimensions.ai/details/publication/pub.1060540466
295 rdf:type schema:CreativeWork
296 https://doi.org/10.1103/physrevb.37.785 schema:sameAs https://app.dimensions.ai/details/publication/pub.1060546104
297 rdf:type schema:CreativeWork
298 https://doi.org/10.1107/s0567740882001939 schema:sameAs https://app.dimensions.ai/details/publication/pub.1049293071
299 rdf:type schema:CreativeWork
300 https://doi.org/10.1515/znb-1955-1201 schema:sameAs https://app.dimensions.ai/details/publication/pub.1067574204
301 rdf:type schema:CreativeWork
302 https://www.grid.ac/institutes/grid.13291.38 schema:alternateName Sichuan University
303 schema:name Institute of Atomic and Molecular Physics, Sichuan University, 610065, Chengdu, Sichuan, China
304 School of Physics and Chemistry, Research Center for Advanced Computation, Xihua University, 610039, Chengdu, China
305 rdf:type schema:Organization
306 https://www.grid.ac/institutes/grid.213876.9 schema:alternateName University of Georgia
307 schema:name Department of Chemistry and Center for Computational Chemistry, University of Georgia, 30602, Athens, GA, USA
308 rdf:type schema:Organization
309 https://www.grid.ac/institutes/grid.412983.5 schema:alternateName Xihua University
310 schema:name School of Physics and Chemistry, Research Center for Advanced Computation, Xihua University, 610039, Chengdu, China
311 rdf:type schema:Organization
 




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


...