DOI: 10.1139/v85-334. A model for the geometries of Van der Waals complexes

A model for the geometries of Van der Waals complexes

10.1139/v85-334

Crossref journal-article

Canadian Science Publishing

Canadian Journal of Chemistry (155)

Abstract

Structures of Van der Waals complexes are predicted by a simple model based on electrostatic interaction between the monomers. Point multipoles are assigned to the atoms and embedded in hard spheres to represent short-range repulsions. Structures deduced for some 29 complexes are in agreement with experiment, and numerous predictions are made.

Bibliography

Buckingham, A. D., & Fowler, P. W. (1985). A model for the geometries of Van der Waals complexes. Canadian Journal of Chemistry, 63(7), 2018â2025.

Authors 2

A. D. Buckingham (first)
P. W. Fowler (additional)

References 8 Referenced 506

HF F 0.087 -0.540 H -1.645 0.540
HCI C1 0.068 0.324 * - 1.137 -0.537 H -2.341 0.213
HCN N 1.125 -0.389 C -1.055 0.322 H -3.068 0.068
CO C 1.218 0.366 * 0.152 -0.516 0 -0.914 0.150
Clz C1 1.878 0.259 * 0.0 -0.518
CIF Cl 1.407 0.158 * -0.132 0.560 F -1.670 -0.718
C 0 2 C 0.0 1.609 * 1.097 -0.454 0 2.194 -0.351
CzH? * 0 - 1.428 C 1.137 0.809 H 3.140 -0.095

Dates

Type	When
Created	19 years, 3 months ago (May 8, 2006, 7:19 p.m.)
Deposited	1 month, 4 weeks ago (July 2, 2025, 1:08 p.m.)
Indexed	1 month, 4 weeks ago (July 3, 2025, 12:13 a.m.)
Issued	40 years, 1 month ago (July 1, 1985)
Published	40 years, 1 month ago (July 1, 1985)
Published Print	40 years, 1 month ago (July 1, 1985)

Funders 0

None

BibTeX

@article{Buckingham_1985, title={A model for the geometries of Van der Waals complexes}, volume={63}, ISSN={1480-3291}, url={http://dx.doi.org/10.1139/v85-334}, DOI={10.1139/v85-334}, number={7}, journal={Canadian Journal of Chemistry}, publisher={Canadian Science Publishing}, author={Buckingham, A. D. and Fowler, P. W.}, year={1985}, month=jul, pages={2018–2025} }

JSON

{
  "indexed": {
    "date-parts": [
      [
        2025,
        7,
        3
      ]
    ],
    "date-time": "2025-07-03T04:13:33Z",
    "timestamp": 1751516013220,
    "version": "3.41.0"
  },
  "reference-count": 8,
  "publisher": "Canadian Science Publishing",
  "issue": "7",
  "license": [
    {
      "start": {
        "date-parts": [
          [
            1985,
            7,
            1
          ]
        ],
        "date-time": "1985-07-01T00:00:00Z",
        "timestamp": 489024000000
      },
      "content-version": "tdm",
      "delay-in-days": 0,
      "URL": "http://www.nrcresearchpress.com/page/about/CorporateTextAndDataMining"
    }
  ],
  "content-domain": {
    "domain": [],
    "crossmark-restriction": false
  },
  "published-print": {
    "date-parts": [
      [
        1985,
        7,
        1
      ]
    ]
  },
  "abstract": "<jats:p> Structures of Van der Waals complexes are predicted by a simple model based on electrostatic interaction between the monomers. Point multipoles are assigned to the atoms and embedded in hard spheres to represent short-range repulsions. Structures deduced for some 29 complexes are in agreement with experiment, and numerous predictions are made. </jats:p>",
  "DOI": "10.1139/v85-334",
  "type": "journal-article",
  "created": {
    "date-parts": [
      [
        2006,
        5,
        8
      ]
    ],
    "date-time": "2006-05-08T23:19:20Z",
    "timestamp": 1147130360000
  },
  "page": "2018-2025",
  "source": "Crossref",
  "is-referenced-by-count": 506,
  "title": "A model for the geometries of Van der Waals complexes",
  "prefix": "10.1139",
  "volume": "63",
  "author": [
    {
      "given": "A. D.",
      "family": "Buckingham",
      "sequence": "first",
      "affiliation": []
    },
    {
      "given": "P. W.",
      "family": "Fowler",
      "sequence": "additional",
      "affiliation": []
    }
  ],
  "member": "155",
  "reference": [
    {
      "key": "p_5/p_5_1",
      "unstructured": "HF F 0.087 -0.540 H -1.645 0.540"
    },
    {
      "key": "p_6/p_6_1",
      "unstructured": "HCI C1 0.068 0.324 * - 1.137 -0.537 H -2.341 0.213"
    },
    {
      "key": "p_7/p_7_1",
      "unstructured": "HCN N 1.125 -0.389 C -1.055 0.322 H -3.068 0.068"
    },
    {
      "key": "p_8/p_8_1",
      "unstructured": "CO C 1.218 0.366 * 0.152 -0.516 0 -0.914 0.150"
    },
    {
      "key": "p_11/p_11_1",
      "unstructured": "Clz C1 1.878 0.259 * 0.0 -0.518"
    },
    {
      "key": "p_12/p_12_1",
      "unstructured": "CIF Cl 1.407 0.158 * -0.132 0.560 F -1.670 -0.718"
    },
    {
      "key": "p_13/p_13_1",
      "unstructured": "C 0 2 C 0.0 1.609 * 1.097 -0.454 0 2.194 -0.351"
    },
    {
      "key": "p_14/p_14_1",
      "unstructured": "CzH? * 0 - 1.428 C 1.137 0.809 H 3.140 -0.095"
    }
  ],
  "container-title": "Canadian Journal of Chemistry",
  "original-title": [],
  "language": "en",
  "link": [
    {
      "URL": "https://cdnsciencepub.com/doi/pdf/10.1139/v85-334",
      "content-type": "unspecified",
      "content-version": "vor",
      "intended-application": "similarity-checking"
    }
  ],
  "deposited": {
    "date-parts": [
      [
        2025,
        7,
        2
      ]
    ],
    "date-time": "2025-07-02T17:08:35Z",
    "timestamp": 1751476115000
  },
  "score": 1,
  "resource": {
    "primary": {
      "URL": "https://cdnsciencepub.com/doi/10.1139/v85-334"
    }
  },
  "subtitle": [],
  "short-title": [],
  "issued": {
    "date-parts": [
      [
        1985,
        7,
        1
      ]
    ]
  },
  "references-count": 8,
  "journal-issue": {
    "issue": "7",
    "published-print": {
      "date-parts": [
        [
          1985,
          7,
          1
        ]
      ]
    }
  },
  "alternative-id": [
    "10.1139/v85-334"
  ],
  "URL": "http://dx.doi.org/10.1139/v85-334",
  "relation": {},
  "ISSN": [
    "0008-4042",
    "1480-3291"
  ],
  "subject": [],
  "container-title-short": "Can. J. Chem.",
  "published": {
    "date-parts": [
      [
        1985,
        7,
        1
      ]
    ]
  }
}