DOI: 10.1063/1.443951. Reactive paths in the diffusion limit

10.1063/1.443951

Crossref journal-article

AIP Publishing

The Journal of Chemical Physics (317)

Abstract

The character of the reactive motion in multidimensional passage over a chemical barrier in the diffusion limit is examined. Frictional coupling between the reactive and nonreactive modes that are defined by the potential forces leads to an enhancement of the rate constant. This effect arises from a bias of the reactive motion towards the direction of least friction, and is modulated by the potential forces. A detailed explanation of this effect is presented and an application to a simple model of isomerization in polymers is given.

Bibliography

van der Zwan, G., & Hynes, J. T. (1982). Reactive paths in the diffusion limit. The Journal of Chemical Physics, 77(3), 1295â1301.

Authors 2

G. van der Zwan (first)
James T. Hynes (additional)

References 18 Referenced 56

{'key': '2024020922220643700_r1'}
10.1063/1.441634 / J. Chem. Phys. (1981)
10.1063/1.442331 / J. Chem. Phys. (1981)
10.1063/1.440485 / J. Chem. Phys. (1980)
{'key': '2024020922220643700_r5', 'first-page': '465', 'volume': '54', 'year': '1971', 'journal-title': 'J. Chem. Phys.'} / J. Chem. Phys. (1971)
10.1063/1.437628 / J. Chem. Phys. (1979)
10.1016/0009-2614(79)80114-1 / Chem. Phys. Lett. (1979)
10.1063/1.436725 / J. Chem. Phys. (1978)
10.1063/1.438119 / J. Chem. Phys. (1979)
10.1146/annurev.pc.31.100180.000333 / Annu. Rev. Phys. Chem. (1980)
10.1016/0009-2614(80)80487-8 / Chem. Phys. Lett. (1980)
10.1063/1.441652 / J. Chem. Phys. (1981)
10.1063/1.443393 / J. Chem. Phys. (1982)
10.1063/1.439376 / J. Chem. Phys. (1980)
10.1063/1.440668 / J. Chem. Phys. (1980)
{'key': '2024020922220643700_r8'}
{'key': '2024020922220643700_r9'}
{'key': '2024020922220643700_r9a'}

Dates

Type	When
Created	22 years, 6 months ago (Feb. 28, 2003, 11:32 a.m.)
Deposited	1 year, 6 months ago (Feb. 9, 2024, 7:01 p.m.)
Indexed	1 year, 4 months ago (May 1, 2024, 6:32 a.m.)
Issued	43 years, 1 month ago (Aug. 1, 1982)
Published	43 years, 1 month ago (Aug. 1, 1982)
Published Print	43 years, 1 month ago (Aug. 1, 1982)

Funders 0

None

BibTeX

@article{van_der_Zwan_1982, title={Reactive paths in the diffusion limit}, volume={77}, ISSN={1089-7690}, url={http://dx.doi.org/10.1063/1.443951}, DOI={10.1063/1.443951}, number={3}, journal={The Journal of Chemical Physics}, publisher={AIP Publishing}, author={van der Zwan, G. and Hynes, James T.}, year={1982}, month=aug, pages={1295–1301} }

JSON

{
  "indexed": {
    "date-parts": [
      [
        2024,
        5,
        1
      ]
    ],
    "date-time": "2024-05-01T10:32:08Z",
    "timestamp": 1714559528821
  },
  "reference-count": 18,
  "publisher": "AIP Publishing",
  "issue": "3",
  "content-domain": {
    "domain": [
      "pubs.aip.org"
    ],
    "crossmark-restriction": true
  },
  "published-print": {
    "date-parts": [
      [
        1982,
        8,
        1
      ]
    ]
  },
  "abstract": "<jats:p>The character of the reactive motion in multidimensional passage over a chemical barrier in the diffusion limit is examined. Frictional coupling between the reactive and nonreactive modes that are defined by the potential forces leads to an enhancement of the rate constant. This effect arises from a bias of the reactive motion towards the direction of least friction, and is modulated by the potential forces. A detailed explanation of this effect is presented and an application to a simple model of isomerization in polymers is given.</jats:p>",
  "DOI": "10.1063/1.443951",
  "type": "journal-article",
  "created": {
    "date-parts": [
      [
        2003,
        2,
        28
      ]
    ],
    "date-time": "2003-02-28T16:32:45Z",
    "timestamp": 1046449965000
  },
  "page": "1295-1301",
  "update-policy": "http://dx.doi.org/10.1063/aip-crossmark-policy-page",
  "source": "Crossref",
  "is-referenced-by-count": 56,
  "title": "Reactive paths in the diffusion limit",
  "prefix": "10.1063",
  "volume": "77",
  "author": [
    {
      "given": "G.",
      "family": "van der Zwan",
      "sequence": "first",
      "affiliation": [
        {
          "name": "Department of Chemistry, University of Colorado, Boulder, Colorado 80309"
        }
      ]
    },
    {
      "given": "James T.",
      "family": "Hynes",
      "sequence": "additional",
      "affiliation": [
        {
          "name": "Department of Chemistry, University of Colorado, Boulder, Colorado 80309"
        }
      ]
    }
  ],
  "member": "317",
  "reference": [
    {
      "key": "2024020922220643700_r1"
    },
    {
      "key": "2024020922220643700_r2",
      "doi-asserted-by": "crossref",
      "first-page": "4465",
      "DOI": "10.1063/1.441634",
      "volume": "74",
      "year": "1981",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "2024020922220643700_r3",
      "doi-asserted-by": "crossref",
      "first-page": "2191",
      "DOI": "10.1063/1.442331",
      "volume": "75",
      "year": "1981",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "2024020922220643700_r4",
      "doi-asserted-by": "crossref",
      "first-page": "2715",
      "DOI": "10.1063/1.440485",
      "volume": "73",
      "year": "1980",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "2024020922220643700_r5",
      "first-page": "465",
      "volume": "54",
      "year": "1971",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "2024020922220643700_r5a",
      "doi-asserted-by": "crossref",
      "first-page": "2016",
      "DOI": "10.1063/1.437628",
      "volume": "70",
      "year": "1979",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "2024020922220643700_r5b",
      "doi-asserted-by": "crossref",
      "first-page": "4",
      "DOI": "10.1016/0009-2614(79)80114-1",
      "volume": "65",
      "year": "1979",
      "journal-title": "Chem. Phys. Lett."
    },
    {
      "key": "2024020922220643700_r5c",
      "doi-asserted-by": "crossref",
      "first-page": "1527",
      "DOI": "10.1063/1.436725",
      "volume": "69",
      "year": "1978",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "2024020922220643700_r5d",
      "doi-asserted-by": "crossref",
      "first-page": "212",
      "DOI": "10.1063/1.438119",
      "volume": "71",
      "year": "1979",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "2024020922220643700_r5e",
      "doi-asserted-by": "crossref",
      "first-page": "29",
      "DOI": "10.1146/annurev.pc.31.100180.000333",
      "volume": "31",
      "year": "1980",
      "journal-title": "Annu. Rev. Phys. Chem."
    },
    {
      "key": "2024020922220643700_r6",
      "doi-asserted-by": "crossref",
      "first-page": "162",
      "DOI": "10.1016/0009-2614(80)80487-8",
      "volume": "75",
      "year": "1980",
      "journal-title": "Chem. Phys. Lett."
    },
    {
      "key": "2024020922220643700_r6a",
      "doi-asserted-by": "crossref",
      "first-page": "4627",
      "DOI": "10.1063/1.441652",
      "volume": "74",
      "year": "1981",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "2024020922220643700_r6b",
      "doi-asserted-by": "crossref",
      "first-page": "3553",
      "DOI": "10.1063/1.443393",
      "volume": "76",
      "year": "1982",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "2024020922220643700_r7",
      "doi-asserted-by": "crossref",
      "first-page": "1504",
      "DOI": "10.1063/1.439376",
      "volume": "72",
      "year": "1980",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "2024020922220643700_r7a",
      "doi-asserted-by": "crossref",
      "first-page": "4703",
      "DOI": "10.1063/1.440668",
      "volume": "73",
      "year": "1980",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "2024020922220643700_r8"
    },
    {
      "key": "2024020922220643700_r9"
    },
    {
      "key": "2024020922220643700_r9a"
    }
  ],
  "container-title": "The Journal of Chemical Physics",
  "original-title": [],
  "language": "en",
  "link": [
    {
      "URL": "https://pubs.aip.org/aip/jcp/article-pdf/77/3/1295/18937200/1295_1_online.pdf",
      "content-type": "application/pdf",
      "content-version": "vor",
      "intended-application": "syndication"
    },
    {
      "URL": "https://pubs.aip.org/aip/jcp/article-pdf/77/3/1295/18937200/1295_1_online.pdf",
      "content-type": "unspecified",
      "content-version": "vor",
      "intended-application": "similarity-checking"
    }
  ],
  "deposited": {
    "date-parts": [
      [
        2024,
        2,
        10
      ]
    ],
    "date-time": "2024-02-10T00:01:17Z",
    "timestamp": 1707523277000
  },
  "score": 1,
  "resource": {
    "primary": {
      "URL": "https://pubs.aip.org/jcp/article/77/3/1295/462322/Reactive-paths-in-the-diffusion-limit"
    }
  },
  "subtitle": [],
  "short-title": [],
  "issued": {
    "date-parts": [
      [
        1982,
        8,
        1
      ]
    ]
  },
  "references-count": 18,
  "journal-issue": {
    "issue": "3",
    "published-print": {
      "date-parts": [
        [
          1982,
          8,
          1
        ]
      ]
    }
  },
  "URL": "http://dx.doi.org/10.1063/1.443951",
  "relation": {},
  "ISSN": [
    "0021-9606",
    "1089-7690"
  ],
  "subject": [],
  "published-other": {
    "date-parts": [
      [
        1982,
        8,
        1
      ]
    ]
  },
  "published": {
    "date-parts": [
      [
        1982,
        8,
        1
      ]
    ]
  }
}