DOI: 10.1063/1.463219. Theoretical study of the water/1,2-dichloroethane interface: Structure, dynamics, and conformational equilibria at the liquid

Theoretical study of the water/1,2-dichloroethane interface: Structure, dynamics, and conformational equilibria at the liquid–liquid interface

10.1063/1.463219

Crossref journal-article

AIP Publishing

The Journal of Chemical Physics (317)

Abstract

Very little is known about the structure and dynamics of the interface between liquid water and liquid 1,2-dichloroethane (DCE), despite the fact that a molecular level understanding of this and similar interfaces is of fundamental importance for the proper interpretation of many studies of charge transfer at interfaces. Molecular dynamics calculations are used to show that the interface is molecularly sharp with capillary wavelike distortions whose structure and dynamics closely resemble those expected from the capillary wave model. Molecular level structural information such as pair correlation functions and hydrogen bonding statistics is also consistent with this picture. The orientation of water at the interface is similar to what is known at other water interfaces. The dynamics of water and DCE translational and rotational motion are only slightly modified at the interface. The DCE gauche–trans isomerization reaction is investigated at the interface and in the bulk. A continuum electrostatic model for the torsional potential of mean force is developed. Although this model can qualitatively account for the different conformational population in the bulk and at the interface, the difference is significantly overestimated.

Bibliography

Benjamin, I. (1992). Theoretical study of the water/1,2-dichloroethane interface: Structure, dynamics, and conformational equilibria at the liquidâliquid interface. The Journal of Chemical Physics, 97(2), 1432â1445.

Authors 1

Ilan Benjamin (first)

References 73 Referenced 280

{'key': '2024021013050572000_r1', 'first-page': '77', 'year': '1984', 'journal-title': 'Faraday Discuss. Chem. Soc.'} / Faraday Discuss. Chem. Soc. (1984)
10.1146/annurev.bb.15.060186.001115 / Ann. Rev. Biophys. Biophys. Chem. (1986)
{'key': '2024021013050572000_r3'}
{'key': '2024021013050572000_r4'}
10.1021/la00080a035 / Langmuir (1988)
10.1021/j100327a004 / J. Phys. Chem. (1988)
10.1063/1.455933 / J. Chem. Phys. (1989)
10.1021/la00092a009 / Langmuir (1990)
10.1103/PhysRevLett.67.2678 / Phys. Rev. Lett. (1991)
10.1063/1.451877 / J. Chem. Phys. (1987)
10.1021/j100331a053 / J. Phys. Chem. (1988)
{'key': '2024021013050572000_r12'}
10.1063/1.455259 / J. Chem. Phys. (1988)
10.1103/PhysRevA.37.3431 / Phys. Rev. A (1988)
10.1021/j100169a052 / J. Phys. Chem. (1991)
10.1021/j100365a010 / J. Phys. Chem. (1990)
10.1021/j100170a055 / J. Phys. Chem. (1991)
10.1063/1.462496 / J. Chem. Phys. (1992)
{'key': '2024021013050572000_r19'}
10.1016/0368-1874(85)85547-7 / J. Electroanal. Chem. (1985)
10.1039/dc9847700075 / Faraday Discuss. Chem. Soc. (1984)
10.1016/0022-0728(86)90041-0 / J. Electroanal. Chem. (1986)
10.1016/0022-0728(86)80523-X / J. Electroanal. Chem. (1986)
10.1063/1.439486 / J. Chem. Phys. (1980)
10.1080/00268978400101201 / Mol. Phys. (1984)
10.1063/1.442716 / J. Chem. Phys. (1982)
10.1063/1.460332 / J. Chem. Phys. (1991)
10.1063/1.460821 / J. Chem. Phys. (1991)
{'key': '2024021013050572000_r28'}
10.1246/bcsj.38.814 / Bull. Chem. Soc. Jpn. (1965)
{'key': '2024021013050572000_r30'}
10.1021/ja00405a018 / J. Am. Chem. Soc. (1981)
10.1021/j150644a002 / J. Phys. Chem. (1983)
10.1016/0167-7322(89)80003-0 / J. Mol. Liq. (1989)
{'key': '2024021013050572000_r34'}
10.1016/0301-0104(83)85128-3 / Chem. Phys. (1983)
10.1021/j100353a043 / J. Phys. Chem. (1989)
10.1080/00268979200100301 / Mol. Phys. (1992)
10.1063/1.435276 / J. Chem. Phys. (1977)
{'key': '2024021013050572000_r39'}
{'key': '2024021013050572000_r40'}
10.1103/PhysRevLett.15.621 / Phys. Rev. Lett. (1965)
{'key': '2024021013050572000_r42'}
10.1016/0022-0728(82)80036-3 / J. Electroanal. Chem. (1982)
{'key': '2024021013050572000_r44'}
{'key': '2024021013050572000_r45'}
{'key': '2024021013050572000_r46'}
{'key': '2024021013050572000_r47', 'first-page': '1', 'volume': '34', 'year': '1976', 'journal-title': 'Adv. Chem. Phys.'} / Adv. Chem. Phys. (1976)
{'key': '2024021013050572000_r48'}
{'key': '2024021013050572000_r49', 'first-page': '93', 'volume': '29', 'year': '1989', 'journal-title': 'Chem. Scripta A'} / Chem. Scripta A (1989)
{'key': '2024021013050572000_r50'}
10.1063/1.433529 / J. Chem. Phys. (1976)
10.1063/1.436049 / J. Chem. Phys. (1978)
{'key': '2024021013050572000_r51b'}
10.1021/j100324a007 / J. Phys. Chem. (1988)
10.1063/1.450469 / J. Chem. Phys. (1986)
10.1016/0301-0104(90)80053-Z / Chem Phys. (1990)
10.1016/S0009-2614(90)87173-O / Chem. Phys. Lett. (1990)
10.1016/0584-8539(72)80227-7 / Spectrochim. Acta A (1972)
10.1016/0301-0104(89)80006-0 / Chem. Phys. (1989)
{'key': '2024021013050572000_r57', 'volume': '95', 'year': '1991', 'journal-title': 'J. Chem. Phys.'} / J. Chem. Phys. (1991)
{'key': '2024021013050572000_r58'}
10.1063/1.1742724 / J. Chem. Phys. (1956)
10.1016/0301-0104(90)80024-R / Chem. Phys. (1990)
10.1021/j100366a005 / J. Phys. Chem. (1990)
{'key': '2024021013050572000_r62'}
10.1016/0022-0728(91)85090-C / J. Electroanal. Chem. (1990)
10.1063/1.461496 / J. Chem. Phys. (1991)
{'key': '2024021013050572000_r65'}
{'key': '2024021013050572000_r66'}
{'key': '2024021013050572000_r67'}
{'key': '2024021013050572000_r68'}
{'key': '2024021013050572000_r69'}

Dates

Type	When
Created	23 years ago (July 26, 2002, 8:22 a.m.)
Deposited	1 year, 6 months ago (Feb. 10, 2024, 9:44 a.m.)
Indexed	1 day, 12 hours ago (Aug. 21, 2025, 1:13 p.m.)
Issued	33 years, 1 month ago (July 15, 1992)
Published	33 years, 1 month ago (July 15, 1992)
Published Print	33 years, 1 month ago (July 15, 1992)

Funders 0

None

BibTeX

@article{Benjamin_1992, title={Theoretical study of the water/1,2-dichloroethane interface: Structure, dynamics, and conformational equilibria at the liquid–liquid interface}, volume={97}, ISSN={1089-7690}, url={http://dx.doi.org/10.1063/1.463219}, DOI={10.1063/1.463219}, number={2}, journal={The Journal of Chemical Physics}, publisher={AIP Publishing}, author={Benjamin, Ilan}, year={1992}, month=jul, pages={1432–1445} }

JSON

{
  "indexed": {
    "date-parts": [
      [
        2025,
        8,
        21
      ]
    ],
    "date-time": "2025-08-21T17:13:24Z",
    "timestamp": 1755796404382
  },
  "reference-count": 73,
  "publisher": "AIP Publishing",
  "issue": "2",
  "content-domain": {
    "domain": [
      "pubs.aip.org"
    ],
    "crossmark-restriction": true
  },
  "published-print": {
    "date-parts": [
      [
        1992,
        7,
        15
      ]
    ]
  },
  "abstract": "<jats:p>Very little is known about the structure and dynamics of the interface between liquid water and liquid 1,2-dichloroethane (DCE), despite the fact that a molecular level understanding of this and similar interfaces is of fundamental importance for the proper interpretation of many studies of charge transfer at interfaces. Molecular dynamics calculations are used to show that the interface is molecularly sharp with capillary wavelike distortions whose structure and dynamics closely resemble those expected from the capillary wave model. Molecular level structural information such as pair correlation functions and hydrogen bonding statistics is also consistent with this picture. The orientation of water at the interface is similar to what is known at other water interfaces. The dynamics of water and DCE translational and rotational motion are only slightly modified at the interface. The DCE gauche\u2013trans isomerization reaction is investigated at the interface and in the bulk. A continuum electrostatic model for the torsional potential of mean force is developed. Although this model can qualitatively account for the different conformational population in the bulk and at the interface, the difference is significantly overestimated.</jats:p>",
  "DOI": "10.1063/1.463219",
  "type": "journal-article",
  "created": {
    "date-parts": [
      [
        2002,
        7,
        26
      ]
    ],
    "date-time": "2002-07-26T12:22:38Z",
    "timestamp": 1027686158000
  },
  "page": "1432-1445",
  "update-policy": "http://dx.doi.org/10.1063/aip-crossmark-policy-page",
  "source": "Crossref",
  "is-referenced-by-count": 280,
  "title": "Theoretical study of the water/1,2-dichloroethane interface: Structure, dynamics, and conformational equilibria at the liquid\u2013liquid interface",
  "prefix": "10.1063",
  "volume": "97",
  "author": [
    {
      "given": "Ilan",
      "family": "Benjamin",
      "sequence": "first",
      "affiliation": [
        {
          "name": "Department of Chemistry, University of California, Santa Cruz, California 95064"
        }
      ]
    }
  ],
  "member": "317",
  "reference": [
    {
      "key": "2024021013050572000_r1",
      "first-page": "77",
      "year": "1984",
      "journal-title": "Faraday Discuss. Chem. Soc."
    },
    {
      "key": "2024021013050572000_r2",
      "doi-asserted-by": "crossref",
      "first-page": "163",
      "DOI": "10.1146/annurev.bb.15.060186.001115",
      "volume": "15",
      "year": "1986",
      "journal-title": "Ann. Rev. Biophys. Biophys. Chem."
    },
    {
      "key": "2024021013050572000_r3"
    },
    {
      "key": "2024021013050572000_r4"
    },
    {
      "key": "2024021013050572000_r5",
      "doi-asserted-by": "crossref",
      "first-page": "452",
      "DOI": "10.1021/la00080a035",
      "volume": "4",
      "year": "1988",
      "journal-title": "Langmuir"
    },
    {
      "key": "2024021013050572000_r6",
      "doi-asserted-by": "crossref",
      "first-page": "4579",
      "DOI": "10.1021/j100327a004",
      "volume": "92",
      "year": "1988",
      "journal-title": "J. Phys. Chem."
    },
    {
      "key": "2024021013050572000_r7",
      "doi-asserted-by": "crossref",
      "first-page": "2831",
      "DOI": "10.1063/1.455933",
      "volume": "90",
      "year": "1989",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "2024021013050572000_r8",
      "doi-asserted-by": "crossref",
      "first-page": "344",
      "DOI": "10.1021/la00092a009",
      "volume": "6",
      "year": "1990",
      "journal-title": "Langmuir"
    },
    {
      "key": "2024021013050572000_r9",
      "doi-asserted-by": "crossref",
      "first-page": "2678",
      "DOI": "10.1103/PhysRevLett.67.2678",
      "volume": "67",
      "year": "1991",
      "journal-title": "Phys. Rev. Lett."
    },
    {
      "key": "2024021013050572000_r10",
      "doi-asserted-by": "crossref",
      "first-page": "4177",
      "DOI": "10.1063/1.451877",
      "volume": "86",
      "year": "1987",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "2024021013050572000_r11",
      "doi-asserted-by": "crossref",
      "first-page": "5813",
      "DOI": "10.1021/j100331a053",
      "volume": "92",
      "year": "1988",
      "journal-title": "J. Phys. Chem."
    },
    {
      "key": "2024021013050572000_r12"
    },
    {
      "key": "2024021013050572000_r13",
      "doi-asserted-by": "crossref",
      "first-page": "1067",
      "DOI": "10.1063/1.455259",
      "volume": "89",
      "year": "1988",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "2024021013050572000_r14",
      "doi-asserted-by": "crossref",
      "first-page": "3431",
      "DOI": "10.1103/PhysRevA.37.3431",
      "volume": "37",
      "year": "1988",
      "journal-title": "Phys. Rev. A"
    },
    {
      "key": "2024021013050572000_r15",
      "doi-asserted-by": "crossref",
      "first-page": "6361",
      "DOI": "10.1021/j100169a052",
      "volume": "95",
      "year": "1991",
      "journal-title": "J. Phys. Chem."
    },
    {
      "key": "2024021013050572000_r16",
      "doi-asserted-by": "crossref",
      "first-page": "531",
      "DOI": "10.1021/j100365a010",
      "volume": "94",
      "year": "1990",
      "journal-title": "J. Phys. Chem."
    },
    {
      "key": "2024021013050572000_r17",
      "doi-asserted-by": "crossref",
      "first-page": "6675",
      "DOI": "10.1021/j100170a055",
      "volume": "95",
      "year": "1991",
      "journal-title": "J. Phys. Chem."
    },
    {
      "key": "2024021013050572000_r18",
      "doi-asserted-by": "crossref",
      "first-page": "577",
      "DOI": "10.1063/1.462496",
      "volume": "96",
      "year": "1992",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "2024021013050572000_r19"
    },
    {
      "key": "2024021013050572000_r20",
      "doi-asserted-by": "crossref",
      "first-page": "435",
      "DOI": "10.1016/0368-1874(85)85547-7",
      "volume": "184",
      "year": "1985",
      "journal-title": "J. Electroanal. Chem."
    },
    {
      "key": "2024021013050572000_r21",
      "doi-asserted-by": "crossref",
      "first-page": "75",
      "DOI": "10.1039/dc9847700075",
      "volume": "77",
      "year": "1984",
      "journal-title": "Faraday Discuss. Chem. Soc."
    },
    {
      "key": "2024021013050572000_r22",
      "doi-asserted-by": "crossref",
      "first-page": "3",
      "DOI": "10.1016/0022-0728(86)90041-0",
      "volume": "200",
      "year": "1986",
      "journal-title": "J. Electroanal. Chem."
    },
    {
      "key": "2024021013050572000_r22a",
      "doi-asserted-by": "crossref",
      "first-page": "257",
      "DOI": "10.1016/0022-0728(86)80523-X",
      "volume": "204",
      "year": "1986",
      "journal-title": "J. Electroanal. Chem."
    },
    {
      "key": "2024021013050572000_r23",
      "doi-asserted-by": "crossref",
      "first-page": "2384",
      "DOI": "10.1063/1.439486",
      "volume": "72",
      "year": "1980",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "2024021013050572000_r24",
      "doi-asserted-by": "crossref",
      "first-page": "255",
      "DOI": "10.1080/00268978400101201",
      "volume": "52",
      "year": "1984",
      "journal-title": "Mol. Phys."
    },
    {
      "key": "2024021013050572000_r25",
      "doi-asserted-by": "crossref",
      "first-page": "637",
      "DOI": "10.1063/1.442716",
      "volume": "76",
      "year": "1982",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "2024021013050572000_r26",
      "doi-asserted-by": "crossref",
      "first-page": "662",
      "DOI": "10.1063/1.460332",
      "volume": "94",
      "year": "1991",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "2024021013050572000_r27",
      "doi-asserted-by": "crossref",
      "first-page": "3698",
      "DOI": "10.1063/1.460821",
      "volume": "95",
      "year": "1991",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "2024021013050572000_r28"
    },
    {
      "key": "2024021013050572000_r29",
      "doi-asserted-by": "crossref",
      "first-page": "814",
      "DOI": "10.1246/bcsj.38.814",
      "volume": "38",
      "year": "1965",
      "journal-title": "Bull. Chem. Soc. Jpn."
    },
    {
      "key": "2024021013050572000_r30"
    },
    {
      "key": "2024021013050572000_r31",
      "doi-asserted-by": "crossref",
      "first-page": "4393",
      "DOI": "10.1021/ja00405a018",
      "volume": "103",
      "year": "1981",
      "journal-title": "J. Am. Chem. Soc."
    },
    {
      "key": "2024021013050572000_r32",
      "doi-asserted-by": "crossref",
      "first-page": "5304",
      "DOI": "10.1021/j150644a002",
      "volume": "87",
      "year": "1983",
      "journal-title": "J. Phys. Chem."
    },
    {
      "key": "2024021013050572000_r33",
      "doi-asserted-by": "crossref",
      "first-page": "1",
      "DOI": "10.1016/0167-7322(89)80003-0",
      "volume": "43",
      "year": "1989",
      "journal-title": "J. Mol. Liq."
    },
    {
      "key": "2024021013050572000_r34"
    },
    {
      "key": "2024021013050572000_r35",
      "doi-asserted-by": "crossref",
      "first-page": "425",
      "DOI": "10.1016/0301-0104(83)85128-3",
      "volume": "78",
      "year": "1983",
      "journal-title": "Chem. Phys."
    },
    {
      "key": "2024021013050572000_r36",
      "doi-asserted-by": "crossref",
      "first-page": "6171",
      "DOI": "10.1021/j100353a043",
      "volume": "93",
      "year": "1989",
      "journal-title": "J. Phys. Chem."
    },
    {
      "key": "2024021013050572000_r37",
      "doi-asserted-by": "crossref",
      "first-page": "379",
      "DOI": "10.1080/00268979200100301",
      "volume": "75",
      "year": "1992",
      "journal-title": "Mol. Phys."
    },
    {
      "key": "2024021013050572000_r38",
      "doi-asserted-by": "crossref",
      "first-page": "3106",
      "DOI": "10.1063/1.435276",
      "volume": "67",
      "year": "1977",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "2024021013050572000_r39"
    },
    {
      "key": "2024021013050572000_r40"
    },
    {
      "key": "2024021013050572000_r41",
      "doi-asserted-by": "crossref",
      "first-page": "621",
      "DOI": "10.1103/PhysRevLett.15.621",
      "volume": "15",
      "year": "1965",
      "journal-title": "Phys. Rev. Lett."
    },
    {
      "key": "2024021013050572000_r42"
    },
    {
      "key": "2024021013050572000_r43",
      "doi-asserted-by": "crossref",
      "first-page": "207",
      "DOI": "10.1016/0022-0728(82)80036-3",
      "volume": "137",
      "year": "1982",
      "journal-title": "J. Electroanal. Chem."
    },
    {
      "key": "2024021013050572000_r44"
    },
    {
      "key": "2024021013050572000_r45"
    },
    {
      "key": "2024021013050572000_r46"
    },
    {
      "key": "2024021013050572000_r47",
      "first-page": "1",
      "volume": "34",
      "year": "1976",
      "journal-title": "Adv. Chem. Phys."
    },
    {
      "key": "2024021013050572000_r48"
    },
    {
      "key": "2024021013050572000_r49",
      "first-page": "93",
      "volume": "29",
      "year": "1989",
      "journal-title": "Chem. Scripta A"
    },
    {
      "key": "2024021013050572000_r50"
    },
    {
      "key": "2024021013050572000_r51",
      "doi-asserted-by": "crossref",
      "first-page": "2925",
      "DOI": "10.1063/1.433529",
      "volume": "65",
      "year": "1976",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "2024021013050572000_r51a",
      "doi-asserted-by": "crossref",
      "first-page": "2959",
      "DOI": "10.1063/1.436049",
      "volume": "68",
      "year": "1978",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "2024021013050572000_r51b"
    },
    {
      "key": "2024021013050572000_r51c",
      "doi-asserted-by": "crossref",
      "first-page": "3711",
      "DOI": "10.1021/j100324a007",
      "volume": "92",
      "year": "1988",
      "journal-title": "J. Phys. Chem."
    },
    {
      "key": "2024021013050572000_r52",
      "doi-asserted-by": "crossref",
      "first-page": "1712",
      "DOI": "10.1063/1.450469",
      "volume": "84",
      "year": "1986",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "2024021013050572000_r53",
      "doi-asserted-by": "crossref",
      "first-page": "327",
      "DOI": "10.1016/0301-0104(90)80053-Z",
      "volume": "146",
      "year": "1990",
      "journal-title": "Chem Phys."
    },
    {
      "key": "2024021013050572000_r54",
      "doi-asserted-by": "crossref",
      "first-page": "423",
      "DOI": "10.1016/S0009-2614(90)87173-O",
      "volume": "174",
      "year": "1990",
      "journal-title": "Chem. Phys. Lett."
    },
    {
      "key": "2024021013050572000_r55",
      "doi-asserted-by": "crossref",
      "first-page": "407",
      "DOI": "10.1016/0584-8539(72)80227-7",
      "volume": "28",
      "year": "1972",
      "journal-title": "Spectrochim. Acta A"
    },
    {
      "key": "2024021013050572000_r56",
      "doi-asserted-by": "crossref",
      "first-page": "209",
      "DOI": "10.1016/0301-0104(89)80006-0",
      "volume": "129",
      "year": "1989",
      "journal-title": "Chem. Phys."
    },
    {
      "key": "2024021013050572000_r57",
      "volume": "95",
      "year": "1991",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "2024021013050572000_r58"
    },
    {
      "key": "2024021013050572000_r59",
      "doi-asserted-by": "crossref",
      "first-page": "979",
      "DOI": "10.1063/1.1742724",
      "volume": "24",
      "year": "1956",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "2024021013050572000_r60",
      "doi-asserted-by": "crossref",
      "first-page": "117",
      "DOI": "10.1016/0301-0104(90)80024-R",
      "volume": "141",
      "year": "1990",
      "journal-title": "Chem. Phys."
    },
    {
      "key": "2024021013050572000_r61",
      "doi-asserted-by": "crossref",
      "first-page": "1050",
      "DOI": "10.1021/j100366a005",
      "volume": "94",
      "year": "1990",
      "journal-title": "J. Phys. Chem."
    },
    {
      "key": "2024021013050572000_r62"
    },
    {
      "key": "2024021013050572000_r63",
      "doi-asserted-by": "crossref",
      "first-page": "59",
      "DOI": "10.1016/0022-0728(91)85090-C",
      "volume": "282",
      "year": "1990",
      "journal-title": "J. Electroanal. Chem."
    },
    {
      "key": "2024021013050572000_r64",
      "doi-asserted-by": "crossref",
      "first-page": "6856",
      "DOI": "10.1063/1.461496",
      "volume": "95",
      "year": "1991",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "2024021013050572000_r65"
    },
    {
      "key": "2024021013050572000_r66"
    },
    {
      "key": "2024021013050572000_r67"
    },
    {
      "key": "2024021013050572000_r68"
    },
    {
      "key": "2024021013050572000_r69"
    }
  ],
  "container-title": "The Journal of Chemical Physics",
  "original-title": [],
  "language": "en",
  "link": [
    {
      "URL": "https://pubs.aip.org/aip/jcp/article-pdf/97/2/1432/19000802/1432_1_online.pdf",
      "content-type": "application/pdf",
      "content-version": "vor",
      "intended-application": "syndication"
    },
    {
      "URL": "https://pubs.aip.org/aip/jcp/article-pdf/97/2/1432/19000802/1432_1_online.pdf",
      "content-type": "unspecified",
      "content-version": "vor",
      "intended-application": "similarity-checking"
    }
  ],
  "deposited": {
    "date-parts": [
      [
        2024,
        2,
        10
      ]
    ],
    "date-time": "2024-02-10T14:44:06Z",
    "timestamp": 1707576246000
  },
  "score": 1,
  "resource": {
    "primary": {
      "URL": "https://pubs.aip.org/jcp/article/97/2/1432/827982/Theoretical-study-of-the-water-1-2-dichloroethane"
    }
  },
  "subtitle": [],
  "short-title": [],
  "issued": {
    "date-parts": [
      [
        1992,
        7,
        15
      ]
    ]
  },
  "references-count": 73,
  "journal-issue": {
    "issue": "2",
    "published-print": {
      "date-parts": [
        [
          1992,
          7,
          15
        ]
      ]
    }
  },
  "URL": "http://dx.doi.org/10.1063/1.463219",
  "relation": {},
  "ISSN": [
    "0021-9606",
    "1089-7690"
  ],
  "subject": [],
  "published-other": {
    "date-parts": [
      [
        1992,
        7,
        15
      ]
    ]
  },
  "published": {
    "date-parts": [
      [
        1992,
        7,
        15
      ]
    ]
  }
}