Solvent-assisted intramolecular proton transfer in thiopurinol: application of M06-2X functional View Full Text


Ontology type: schema:ScholarlyArticle     


Article Info

DATE

2018-04

AUTHORS

Morteza Karimzadeh, Neda Manouchehri, Dariush Saberi, Khodabakhsh Niknam

ABSTRACT

All available conformers of tisopurine as an important pharmaceutical molecule are optimized and frequency calculations calculated at M06-2X/6-311++G(2d,2p) level of theory. These conformers are classified in 22 different tautomers, tautomer Z showing the most stable tautomer in the gas phase. Effects of four different solvents on the most stable conformer of each tautomer is calculated. Solvents cause stabilization of all conformers and relative solvent stabilization is as follows: water > DMSO > acetone > toluene. Energy profile for such stabilization is illustrated and mechanism of proton transfer studied at the same level of theory. Solvent-assisted proton transfer performed when water and methanol used as solvents. Results indicate that explicit solvent effect has much more stabilization on tautomerization processes compared to implicit solvent effect. More... »

PAGES

383-391

References to SciGraph publications

  • 2008-05. The M06 suite of density functionals for main group thermochemistry, thermochemical kinetics, noncovalent interactions, excited states, and transition elements: two new functionals and systematic testing of four M06-class functionals and 12 other functionals in THEORETICAL CHEMISTRY ACCOUNTS
  • 2014-08. Solvent and structural effects in tautomeric 3-cyano-4-(substituted phenyl)-6-phenyl-2(1H)-pyridones: experimental and quantum chemical study in STRUCTURAL CHEMISTRY
  • 2013-08. Stability and aromaticity of tautomers and kinetics of proton transfer in 6-methylpentafulvene and its exo-substituted derivatives: a computational study in STRUCTURAL CHEMISTRY
  • 2009-08. Theoretical studies on excited state proton transfer tautomerism reaction and spectroscopic properties of 8-hydroxyquinoline monomers and dimers in JOURNAL OF STRUCTURAL CHEMISTRY
  • 2003-06. Theoretical Study of Molecular Structure, Tautomerism, and Geometrical Isomerism of N-Methyl- and N-Phenyl-Substituted Cyclic Imidazolines, Oxazolines, and Thiazolines in STRUCTURAL CHEMISTRY
  • 2015-02. Tautomerism and mechanism of intramolecular proton transfer under the gas phase and micro-hydrated solvent conditions: biuret as a case study in STRUCTURAL CHEMISTRY
  • 1995-08. Tautomerism of xanthine: The second-order MØller-Plesset study in STRUCTURAL CHEMISTRY
  • 2016-10. A comparative MP2 study between water- and acid-assisted proton transfer: allophanic acid as a case of study in STRUCTURAL CHEMISTRY
  • 2006-12. Tautomerism of bis(2,4-benzyloxy)-6-(5H)-one-1,3,5-triazine: A combined crystallographic and quantum-chemical investigation in STRUCTURAL CHEMISTRY
  • Identifiers

    URI

    http://scigraph.springernature.com/pub.10.1007/s11224-017-1035-7

    DOI

    http://dx.doi.org/10.1007/s11224-017-1035-7

    DIMENSIONS

    https://app.dimensions.ai/details/publication/pub.1091896283


    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": "Persian Gulf University", 
              "id": "https://www.grid.ac/institutes/grid.412491.b", 
              "name": [
                "Department of Chemistry, Faculty of Sciences, Persian Gulf University, 75169, Bushehr, Iran"
              ], 
              "type": "Organization"
            }, 
            "familyName": "Karimzadeh", 
            "givenName": "Morteza", 
            "id": "sg:person.013553501631.25", 
            "sameAs": [
              "https://app.dimensions.ai/discover/publication?and_facet_researcher=ur.013553501631.25"
            ], 
            "type": "Person"
          }, 
          {
            "affiliation": {
              "alternateName": "Persian Gulf University", 
              "id": "https://www.grid.ac/institutes/grid.412491.b", 
              "name": [
                "Department of Chemistry, Faculty of Sciences, Persian Gulf University, 75169, Bushehr, Iran"
              ], 
              "type": "Organization"
            }, 
            "familyName": "Manouchehri", 
            "givenName": "Neda", 
            "id": "sg:person.016702727735.48", 
            "sameAs": [
              "https://app.dimensions.ai/discover/publication?and_facet_researcher=ur.016702727735.48"
            ], 
            "type": "Person"
          }, 
          {
            "affiliation": {
              "alternateName": "Persian Gulf University", 
              "id": "https://www.grid.ac/institutes/grid.412491.b", 
              "name": [
                "Fisheries and Aquaculture Department, College of Agriculture and Natural Resources Persian Gulf University, 75169, Bushehr, Iran"
              ], 
              "type": "Organization"
            }, 
            "familyName": "Saberi", 
            "givenName": "Dariush", 
            "id": "sg:person.015053352273.44", 
            "sameAs": [
              "https://app.dimensions.ai/discover/publication?and_facet_researcher=ur.015053352273.44"
            ], 
            "type": "Person"
          }, 
          {
            "affiliation": {
              "alternateName": "Persian Gulf University", 
              "id": "https://www.grid.ac/institutes/grid.412491.b", 
              "name": [
                "Department of Chemistry, Faculty of Sciences, Persian Gulf University, 75169, Bushehr, Iran"
              ], 
              "type": "Organization"
            }, 
            "familyName": "Niknam", 
            "givenName": "Khodabakhsh", 
            "id": "sg:person.01277600267.81", 
            "sameAs": [
              "https://app.dimensions.ai/discover/publication?and_facet_researcher=ur.01277600267.81"
            ], 
            "type": "Person"
          }
        ], 
        "citation": [
          {
            "id": "sg:pub.10.1007/s11224-016-0753-6", 
            "sameAs": [
              "https://app.dimensions.ai/details/publication/pub.1000117278", 
              "https://doi.org/10.1007/s11224-016-0753-6"
            ], 
            "type": "CreativeWork"
          }, 
          {
            "id": "sg:pub.10.1007/s11224-012-0125-9", 
            "sameAs": [
              "https://app.dimensions.ai/details/publication/pub.1007285478", 
              "https://doi.org/10.1007/s11224-012-0125-9"
            ], 
            "type": "CreativeWork"
          }, 
          {
            "id": "https://doi.org/10.1016/j.comptc.2014.05.011", 
            "sameAs": [
              "https://app.dimensions.ai/details/publication/pub.1009557732"
            ], 
            "type": "CreativeWork"
          }, 
          {
            "id": "https://doi.org/10.1002/ijch.199300051", 
            "sameAs": [
              "https://app.dimensions.ai/details/publication/pub.1010400038"
            ], 
            "type": "CreativeWork"
          }, 
          {
            "id": "sg:pub.10.1007/s11224-006-9058-5", 
            "sameAs": [
              "https://app.dimensions.ai/details/publication/pub.1012538007", 
              "https://doi.org/10.1007/s11224-006-9058-5"
            ], 
            "type": "CreativeWork"
          }, 
          {
            "id": "https://doi.org/10.1016/j.molstruc.2014.11.011", 
            "sameAs": [
              "https://app.dimensions.ai/details/publication/pub.1015447257"
            ], 
            "type": "CreativeWork"
          }, 
          {
            "id": "https://doi.org/10.1016/j.ejmech.2010.11.004", 
            "sameAs": [
              "https://app.dimensions.ai/details/publication/pub.1017349639"
            ], 
            "type": "CreativeWork"
          }, 
          {
            "id": "sg:pub.10.1007/s11224-014-0401-y", 
            "sameAs": [
              "https://app.dimensions.ai/details/publication/pub.1018051318", 
              "https://doi.org/10.1007/s11224-014-0401-y"
            ], 
            "type": "CreativeWork"
          }, 
          {
            "id": "https://doi.org/10.1002/qua.560560876", 
            "sameAs": [
              "https://app.dimensions.ai/details/publication/pub.1018055934"
            ], 
            "type": "CreativeWork"
          }, 
          {
            "id": "https://doi.org/10.1081/ncn-100107191", 
            "sameAs": [
              "https://app.dimensions.ai/details/publication/pub.1020497103"
            ], 
            "type": "CreativeWork"
          }, 
          {
            "id": "https://doi.org/10.1172/jci111865", 
            "sameAs": [
              "https://app.dimensions.ai/details/publication/pub.1021107673"
            ], 
            "type": "CreativeWork"
          }, 
          {
            "id": "https://doi.org/10.1107/s160053681401825x", 
            "sameAs": [
              "https://app.dimensions.ai/details/publication/pub.1023702774"
            ], 
            "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/jhet.5570220303", 
            "sameAs": [
              "https://app.dimensions.ai/details/publication/pub.1028976022"
            ], 
            "type": "CreativeWork"
          }, 
          {
            "id": "https://doi.org/10.1002/jhet.5570220303", 
            "sameAs": [
              "https://app.dimensions.ai/details/publication/pub.1028976022"
            ], 
            "type": "CreativeWork"
          }, 
          {
            "id": "https://doi.org/10.1016/j.comptc.2016.03.009", 
            "sameAs": [
              "https://app.dimensions.ai/details/publication/pub.1032028467"
            ], 
            "type": "CreativeWork"
          }, 
          {
            "id": "sg:pub.10.1007/s11224-014-0408-4", 
            "sameAs": [
              "https://app.dimensions.ai/details/publication/pub.1038502103", 
              "https://doi.org/10.1007/s11224-014-0408-4"
            ], 
            "type": "CreativeWork"
          }, 
          {
            "id": "sg:pub.10.1007/bf02293121", 
            "sameAs": [
              "https://app.dimensions.ai/details/publication/pub.1042748937", 
              "https://doi.org/10.1007/bf02293121"
            ], 
            "type": "CreativeWork"
          }, 
          {
            "id": "sg:pub.10.1007/bf02293121", 
            "sameAs": [
              "https://app.dimensions.ai/details/publication/pub.1042748937", 
              "https://doi.org/10.1007/bf02293121"
            ], 
            "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.comptc.2014.05.019", 
            "sameAs": [
              "https://app.dimensions.ai/details/publication/pub.1046369892"
            ], 
            "type": "CreativeWork"
          }, 
          {
            "id": "sg:pub.10.1023/a:1023811829286", 
            "sameAs": [
              "https://app.dimensions.ai/details/publication/pub.1048458520", 
              "https://doi.org/10.1023/a:1023811829286"
            ], 
            "type": "CreativeWork"
          }, 
          {
            "id": "sg:pub.10.1007/s10947-009-0095-y", 
            "sameAs": [
              "https://app.dimensions.ai/details/publication/pub.1053221567", 
              "https://doi.org/10.1007/s10947-009-0095-y"
            ], 
            "type": "CreativeWork"
          }, 
          {
            "id": "sg:pub.10.1007/s10947-009-0095-y", 
            "sameAs": [
              "https://app.dimensions.ai/details/publication/pub.1053221567", 
              "https://doi.org/10.1007/s10947-009-0095-y"
            ], 
            "type": "CreativeWork"
          }, 
          {
            "id": "https://doi.org/10.1021/cr00031a013", 
            "sameAs": [
              "https://app.dimensions.ai/details/publication/pub.1053853829"
            ], 
            "type": "CreativeWork"
          }, 
          {
            "id": "https://doi.org/10.1021/jp020124t", 
            "sameAs": [
              "https://app.dimensions.ai/details/publication/pub.1056048757"
            ], 
            "type": "CreativeWork"
          }, 
          {
            "id": "https://doi.org/10.1021/jp020124t", 
            "sameAs": [
              "https://app.dimensions.ai/details/publication/pub.1056048757"
            ], 
            "type": "CreativeWork"
          }
        ], 
        "datePublished": "2018-04", 
        "datePublishedReg": "2018-04-01", 
        "description": "All available conformers of tisopurine as an important pharmaceutical molecule are optimized and frequency calculations calculated at M06-2X/6-311++G(2d,2p) level of theory. These conformers are classified in 22 different tautomers, tautomer Z showing the most stable tautomer in the gas phase. Effects of four different solvents on the most stable conformer of each tautomer is calculated. Solvents cause stabilization of all conformers and relative solvent stabilization is as follows: water > DMSO > acetone > toluene. Energy profile for such stabilization is illustrated and mechanism of proton transfer studied at the same level of theory. Solvent-assisted proton transfer performed when water and methanol used as solvents. Results indicate that explicit solvent effect has much more stabilization on tautomerization processes compared to implicit solvent effect.", 
        "genre": "research_article", 
        "id": "sg:pub.10.1007/s11224-017-1035-7", 
        "inLanguage": [
          "en"
        ], 
        "isAccessibleForFree": false, 
        "isPartOf": [
          {
            "id": "sg:journal.1046791", 
            "issn": [
              "1040-0400", 
              "1572-9001"
            ], 
            "name": "Structural Chemistry", 
            "type": "Periodical"
          }, 
          {
            "issueNumber": "2", 
            "type": "PublicationIssue"
          }, 
          {
            "type": "PublicationVolume", 
            "volumeNumber": "29"
          }
        ], 
        "name": "Solvent-assisted intramolecular proton transfer in thiopurinol: application of M06-2X functional", 
        "pagination": "383-391", 
        "productId": [
          {
            "name": "readcube_id", 
            "type": "PropertyValue", 
            "value": [
              "2713b4f47f7895ca2e5d4770348517b5d6497527936ecc2d15cb9d8e34d3de26"
            ]
          }, 
          {
            "name": "doi", 
            "type": "PropertyValue", 
            "value": [
              "10.1007/s11224-017-1035-7"
            ]
          }, 
          {
            "name": "dimensions_id", 
            "type": "PropertyValue", 
            "value": [
              "pub.1091896283"
            ]
          }
        ], 
        "sameAs": [
          "https://doi.org/10.1007/s11224-017-1035-7", 
          "https://app.dimensions.ai/details/publication/pub.1091896283"
        ], 
        "sdDataset": "articles", 
        "sdDatePublished": "2019-04-10T23:29", 
        "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_00000535.jsonl", 
        "type": "ScholarlyArticle", 
        "url": "http://link.springer.com/10.1007%2Fs11224-017-1035-7"
      }
    ]
     

    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/s11224-017-1035-7'

    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/s11224-017-1035-7'

    Turtle is a human-readable linked data format.

    curl -H 'Accept: text/turtle' 'https://scigraph.springernature.com/pub.10.1007/s11224-017-1035-7'

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

    curl -H 'Accept: application/rdf+xml' 'https://scigraph.springernature.com/pub.10.1007/s11224-017-1035-7'


     

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

    161 TRIPLES      21 PREDICATES      50 URIs      19 LITERALS      7 BLANK NODES

    Subject Predicate Object
    1 sg:pub.10.1007/s11224-017-1035-7 schema:about anzsrc-for:03
    2 anzsrc-for:0306
    3 schema:author N507d12938c174ae5b6062b9df0e6a63a
    4 schema:citation sg:pub.10.1007/bf02293121
    5 sg:pub.10.1007/s00214-007-0310-x
    6 sg:pub.10.1007/s10947-009-0095-y
    7 sg:pub.10.1007/s11224-006-9058-5
    8 sg:pub.10.1007/s11224-012-0125-9
    9 sg:pub.10.1007/s11224-014-0401-y
    10 sg:pub.10.1007/s11224-014-0408-4
    11 sg:pub.10.1007/s11224-016-0753-6
    12 sg:pub.10.1023/a:1023811829286
    13 https://doi.org/10.1002/ijch.199300051
    14 https://doi.org/10.1002/jhet.5570220303
    15 https://doi.org/10.1002/qua.560560876
    16 https://doi.org/10.1016/j.comptc.2014.05.011
    17 https://doi.org/10.1016/j.comptc.2014.05.019
    18 https://doi.org/10.1016/j.comptc.2016.03.009
    19 https://doi.org/10.1016/j.ejmech.2010.11.004
    20 https://doi.org/10.1016/j.molstruc.2014.11.011
    21 https://doi.org/10.1021/cr00031a013
    22 https://doi.org/10.1021/jp020124t
    23 https://doi.org/10.1063/1.464913
    24 https://doi.org/10.1081/ncn-100107191
    25 https://doi.org/10.1107/s160053681401825x
    26 https://doi.org/10.1172/jci111865
    27 schema:datePublished 2018-04
    28 schema:datePublishedReg 2018-04-01
    29 schema:description All available conformers of tisopurine as an important pharmaceutical molecule are optimized and frequency calculations calculated at M06-2X/6-311++G(2d,2p) level of theory. These conformers are classified in 22 different tautomers, tautomer Z showing the most stable tautomer in the gas phase. Effects of four different solvents on the most stable conformer of each tautomer is calculated. Solvents cause stabilization of all conformers and relative solvent stabilization is as follows: water > DMSO > acetone > toluene. Energy profile for such stabilization is illustrated and mechanism of proton transfer studied at the same level of theory. Solvent-assisted proton transfer performed when water and methanol used as solvents. Results indicate that explicit solvent effect has much more stabilization on tautomerization processes compared to implicit solvent effect.
    30 schema:genre research_article
    31 schema:inLanguage en
    32 schema:isAccessibleForFree false
    33 schema:isPartOf N1ce0540b846743fca30150520d75be6d
    34 N3c4ba7b4e4b84b9e9e6cb1f0428ef353
    35 sg:journal.1046791
    36 schema:name Solvent-assisted intramolecular proton transfer in thiopurinol: application of M06-2X functional
    37 schema:pagination 383-391
    38 schema:productId N4bfe5a9ff8554efd80ed0d3a2eeb8c73
    39 Ndfb40494deeb4b6f9aad18f9051153ee
    40 Ne113fc931bcd40038bb2c78f2878d315
    41 schema:sameAs https://app.dimensions.ai/details/publication/pub.1091896283
    42 https://doi.org/10.1007/s11224-017-1035-7
    43 schema:sdDatePublished 2019-04-10T23:29
    44 schema:sdLicense https://scigraph.springernature.com/explorer/license/
    45 schema:sdPublisher Na77b778528354170bd12273adebf6017
    46 schema:url http://link.springer.com/10.1007%2Fs11224-017-1035-7
    47 sgo:license sg:explorer/license/
    48 sgo:sdDataset articles
    49 rdf:type schema:ScholarlyArticle
    50 N16017d89f76f49d38381237b07b81bd5 rdf:first sg:person.015053352273.44
    51 rdf:rest Nc623f59edf8c4a3aba147a5bb62b9385
    52 N1ce0540b846743fca30150520d75be6d schema:volumeNumber 29
    53 rdf:type schema:PublicationVolume
    54 N3c4ba7b4e4b84b9e9e6cb1f0428ef353 schema:issueNumber 2
    55 rdf:type schema:PublicationIssue
    56 N4bfe5a9ff8554efd80ed0d3a2eeb8c73 schema:name readcube_id
    57 schema:value 2713b4f47f7895ca2e5d4770348517b5d6497527936ecc2d15cb9d8e34d3de26
    58 rdf:type schema:PropertyValue
    59 N507d12938c174ae5b6062b9df0e6a63a rdf:first sg:person.013553501631.25
    60 rdf:rest Nfd04dad2086d4e34bef7eb48291b139d
    61 Na77b778528354170bd12273adebf6017 schema:name Springer Nature - SN SciGraph project
    62 rdf:type schema:Organization
    63 Nc623f59edf8c4a3aba147a5bb62b9385 rdf:first sg:person.01277600267.81
    64 rdf:rest rdf:nil
    65 Ndfb40494deeb4b6f9aad18f9051153ee schema:name dimensions_id
    66 schema:value pub.1091896283
    67 rdf:type schema:PropertyValue
    68 Ne113fc931bcd40038bb2c78f2878d315 schema:name doi
    69 schema:value 10.1007/s11224-017-1035-7
    70 rdf:type schema:PropertyValue
    71 Nfd04dad2086d4e34bef7eb48291b139d rdf:first sg:person.016702727735.48
    72 rdf:rest N16017d89f76f49d38381237b07b81bd5
    73 anzsrc-for:03 schema:inDefinedTermSet anzsrc-for:
    74 schema:name Chemical Sciences
    75 rdf:type schema:DefinedTerm
    76 anzsrc-for:0306 schema:inDefinedTermSet anzsrc-for:
    77 schema:name Physical Chemistry (incl. Structural)
    78 rdf:type schema:DefinedTerm
    79 sg:journal.1046791 schema:issn 1040-0400
    80 1572-9001
    81 schema:name Structural Chemistry
    82 rdf:type schema:Periodical
    83 sg:person.01277600267.81 schema:affiliation https://www.grid.ac/institutes/grid.412491.b
    84 schema:familyName Niknam
    85 schema:givenName Khodabakhsh
    86 schema:sameAs https://app.dimensions.ai/discover/publication?and_facet_researcher=ur.01277600267.81
    87 rdf:type schema:Person
    88 sg:person.013553501631.25 schema:affiliation https://www.grid.ac/institutes/grid.412491.b
    89 schema:familyName Karimzadeh
    90 schema:givenName Morteza
    91 schema:sameAs https://app.dimensions.ai/discover/publication?and_facet_researcher=ur.013553501631.25
    92 rdf:type schema:Person
    93 sg:person.015053352273.44 schema:affiliation https://www.grid.ac/institutes/grid.412491.b
    94 schema:familyName Saberi
    95 schema:givenName Dariush
    96 schema:sameAs https://app.dimensions.ai/discover/publication?and_facet_researcher=ur.015053352273.44
    97 rdf:type schema:Person
    98 sg:person.016702727735.48 schema:affiliation https://www.grid.ac/institutes/grid.412491.b
    99 schema:familyName Manouchehri
    100 schema:givenName Neda
    101 schema:sameAs https://app.dimensions.ai/discover/publication?and_facet_researcher=ur.016702727735.48
    102 rdf:type schema:Person
    103 sg:pub.10.1007/bf02293121 schema:sameAs https://app.dimensions.ai/details/publication/pub.1042748937
    104 https://doi.org/10.1007/bf02293121
    105 rdf:type schema:CreativeWork
    106 sg:pub.10.1007/s00214-007-0310-x schema:sameAs https://app.dimensions.ai/details/publication/pub.1024437999
    107 https://doi.org/10.1007/s00214-007-0310-x
    108 rdf:type schema:CreativeWork
    109 sg:pub.10.1007/s10947-009-0095-y schema:sameAs https://app.dimensions.ai/details/publication/pub.1053221567
    110 https://doi.org/10.1007/s10947-009-0095-y
    111 rdf:type schema:CreativeWork
    112 sg:pub.10.1007/s11224-006-9058-5 schema:sameAs https://app.dimensions.ai/details/publication/pub.1012538007
    113 https://doi.org/10.1007/s11224-006-9058-5
    114 rdf:type schema:CreativeWork
    115 sg:pub.10.1007/s11224-012-0125-9 schema:sameAs https://app.dimensions.ai/details/publication/pub.1007285478
    116 https://doi.org/10.1007/s11224-012-0125-9
    117 rdf:type schema:CreativeWork
    118 sg:pub.10.1007/s11224-014-0401-y schema:sameAs https://app.dimensions.ai/details/publication/pub.1018051318
    119 https://doi.org/10.1007/s11224-014-0401-y
    120 rdf:type schema:CreativeWork
    121 sg:pub.10.1007/s11224-014-0408-4 schema:sameAs https://app.dimensions.ai/details/publication/pub.1038502103
    122 https://doi.org/10.1007/s11224-014-0408-4
    123 rdf:type schema:CreativeWork
    124 sg:pub.10.1007/s11224-016-0753-6 schema:sameAs https://app.dimensions.ai/details/publication/pub.1000117278
    125 https://doi.org/10.1007/s11224-016-0753-6
    126 rdf:type schema:CreativeWork
    127 sg:pub.10.1023/a:1023811829286 schema:sameAs https://app.dimensions.ai/details/publication/pub.1048458520
    128 https://doi.org/10.1023/a:1023811829286
    129 rdf:type schema:CreativeWork
    130 https://doi.org/10.1002/ijch.199300051 schema:sameAs https://app.dimensions.ai/details/publication/pub.1010400038
    131 rdf:type schema:CreativeWork
    132 https://doi.org/10.1002/jhet.5570220303 schema:sameAs https://app.dimensions.ai/details/publication/pub.1028976022
    133 rdf:type schema:CreativeWork
    134 https://doi.org/10.1002/qua.560560876 schema:sameAs https://app.dimensions.ai/details/publication/pub.1018055934
    135 rdf:type schema:CreativeWork
    136 https://doi.org/10.1016/j.comptc.2014.05.011 schema:sameAs https://app.dimensions.ai/details/publication/pub.1009557732
    137 rdf:type schema:CreativeWork
    138 https://doi.org/10.1016/j.comptc.2014.05.019 schema:sameAs https://app.dimensions.ai/details/publication/pub.1046369892
    139 rdf:type schema:CreativeWork
    140 https://doi.org/10.1016/j.comptc.2016.03.009 schema:sameAs https://app.dimensions.ai/details/publication/pub.1032028467
    141 rdf:type schema:CreativeWork
    142 https://doi.org/10.1016/j.ejmech.2010.11.004 schema:sameAs https://app.dimensions.ai/details/publication/pub.1017349639
    143 rdf:type schema:CreativeWork
    144 https://doi.org/10.1016/j.molstruc.2014.11.011 schema:sameAs https://app.dimensions.ai/details/publication/pub.1015447257
    145 rdf:type schema:CreativeWork
    146 https://doi.org/10.1021/cr00031a013 schema:sameAs https://app.dimensions.ai/details/publication/pub.1053853829
    147 rdf:type schema:CreativeWork
    148 https://doi.org/10.1021/jp020124t schema:sameAs https://app.dimensions.ai/details/publication/pub.1056048757
    149 rdf:type schema:CreativeWork
    150 https://doi.org/10.1063/1.464913 schema:sameAs https://app.dimensions.ai/details/publication/pub.1042899913
    151 rdf:type schema:CreativeWork
    152 https://doi.org/10.1081/ncn-100107191 schema:sameAs https://app.dimensions.ai/details/publication/pub.1020497103
    153 rdf:type schema:CreativeWork
    154 https://doi.org/10.1107/s160053681401825x schema:sameAs https://app.dimensions.ai/details/publication/pub.1023702774
    155 rdf:type schema:CreativeWork
    156 https://doi.org/10.1172/jci111865 schema:sameAs https://app.dimensions.ai/details/publication/pub.1021107673
    157 rdf:type schema:CreativeWork
    158 https://www.grid.ac/institutes/grid.412491.b schema:alternateName Persian Gulf University
    159 schema:name Department of Chemistry, Faculty of Sciences, Persian Gulf University, 75169, Bushehr, Iran
    160 Fisheries and Aquaculture Department, College of Agriculture and Natural Resources Persian Gulf University, 75169, Bushehr, Iran
    161 rdf:type schema:Organization
     




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


    ...