DOI: 10.1063/1.1320826. Resolving the hydrogen bond dynamics conundrum

Resolving the hydrogen bond dynamics conundrum

10.1063/1.1320826

Crossref journal-article

AIP Publishing

The Journal of Chemical Physics (317)

Abstract

This paper analyzes dynamic properties of hydrogen bonds in liquid water. We use molecular dynamics simulation to calculate different probability densities that govern the time evolution of the formation and rupture of hydrogen bonds. We provide analytical connections between these functions. Excellent agreement with our simulation results is observed. We prove transition state theory rate constant to be identical to the inverse of the associated mean first passage time (hydrogen bond lifetime). Hence, the analysis establishes its Arrhenius temperature dependence. We give the explicit relation between reactive flux correlation function for the relaxation dynamics of hydrogen bonds, and their first passage time probability densities. All the different observations in the existing literature, associated with various estimates of hydrogen bonding times in liquid water that are affected (or not affected) by particular bond criteria, as well as by different definitions of hydrogen bond lifetimes applied in simulation, can be easily reconciled within the framework of reactive flux correlation function approach.

Bibliography

Luzar, A. (2000). Resolving the hydrogen bond dynamics conundrum. The Journal of Chemical Physics, 113(23), 10663â10675.

Authors 1

Alenka Luzar (first)

References 69 Referenced 668

10.1080/00268978400102761 / Mol. Phys. (1984)
10.1103/PhysRevA.31.1913 / Phys. Rev. A (1985)
10.1103/PhysRevLett.80.2622 / Phys. Rev. Lett. (1998)
10.1063/1.479408 / J. Chem. Phys. (1999)
10.1103/PhysRevLett.82.1068 / Phys. Rev. Lett. (1999)
{'key': '2024020715140002900_r6', 'first-page': '1', 'volume': '64', 'year': '1986', 'journal-title': 'Adv. Chem. Phys.'} / Adv. Chem. Phys. (1986)
10.1063/1.452545 / J. Chem. Phys. (1987)
10.1063/1.455927 / J. Chem. Phys. (1989)
10.1063/1.458652 / J. Chem. Phys. (1990)
10.1063/1.470497 / J. Chem. Phys. (1995)
10.1063/1.474776 / J. Chem. Phys. (1997)
10.1063/1.440819 / J. Chem. Phys. (1981)
10.1063/1.1676585 / J. Chem. Phys. (1971)
10.1063/1.459076 / J. Chem. Phys. (1990)
{'key': '2024020715140002900_r15', 'first-page': '1', 'volume': '31', 'year': '1975', 'journal-title': 'Adv. Chem. Phys.'} / Adv. Chem. Phys. (1975)
10.1080/00268978300102931 / Mol. Phys. (1983)
10.1063/1.432402 / J. Chem. Phys. (1976)
10.1063/1.452545 / J. Chem. Phys. (1987)
10.1002/(SICI)1096-987X(19961130)17:15<1757::AID-JCC6>3.0.CO;2-O / J. Comput. Chem. (1996)
10.1021/jp951561t / J. Phys. Chem. (1996)
{'key': '2024020715140002900_r19b'}
10.1063/1.471932 / J. Chem. Phys. (1996)
10.1103/PhysRevE.61.449 / Phys. Rev. E (2000)
10.1021/j100014a047 / J. Phys. Chem. (1995)
10.1080/00268979909482891 / Mol. Phys. (1999)
{'key': '2024020715140002900_r24', 'first-page': '67612', 'volume': '29', 'year': '1996', 'journal-title': 'Macromolecules'} / Macromolecules (1996)
10.1063/1.464521 / J. Chem. Phys. (1993)
{'key': '2024020715140002900_r26'}
{'key': '2024020715140002900_r27', 'first-page': '55', 'volume': '397', 'year': '1996', 'journal-title': 'Nature (London)'} / Nature (London) (1996)
10.1063/1.1679032 / J. Chem. Phys. (1973)
{'key': '2024020715140002900_r29'}
10.1063/1.436049 / J. Chem. Phys. (1978)
{'key': '2024020715140002900_r31'}
{'key': '2024020715140002900_r32', 'first-page': 'C7', 'volume': '45', 'year': '1984', 'journal-title': 'J. Phys. (Paris)'} / J. Phys. (Paris) (1984)
10.1103/PhysRevLett.64.1686 / Phys. Rev. Lett. (1990)
10.1103/PhysRevLett.82.2294 / Phys. Rev. Lett. (1999)
10.1007/BF01323737 / Z. Phys. B: Condens. Matter (1992)
10.1063/1.471664 / J. Chem. Phys. (1996)
10.1103/PhysRevLett.76.928 / Phys. Rev. Lett. (1996)
10.1016/S0301-0104(00)00163-4 / Chem. Phys. (2000)
{'key': '2024020715140002900_r39', 'first-page': '579', 'volume': '62', 'year': '2000', 'journal-title': 'Phys. Rev. E'} / Phys. Rev. E (2000)
10.1063/1.433153 / J. Chem. Phys. (1976)
10.1103/RevModPhys.62.251 / Rev. Mod. Phys. (1990)
{'key': '2024020715140002900_r42'}
{'key': '2024020715140002900_r43'}
10.1080/00268978600100031 / Mol. Phys. (1986)
10.1021/ar50104a005 / Acc. Chem. Res. (1976)
{'key': '2024020715140002900_r46'}
{'key': '2024020715140002900_r47', 'first-page': '205', 'volume': '103', 'year': '1996', 'journal-title': 'Faraday Discuss.'} / Faraday Discuss. (1996)
{'key': '2024020715140002900_r48', 'first-page': 'A403', 'volume': '12', 'year': '2000', 'journal-title': 'J. Phys.: Condens. Matter'} / J. Phys.: Condens. Matter (2000)
{'key': '2024020715140002900_r49', 'first-page': 'R1', 'volume': '60', 'year': '1999', 'journal-title': 'Phys. Rev. E'} / Phys. Rev. E (1999)
10.1063/1.445869 / J. Chem. Phys. (1983)
{'key': '2024020715140002900_r51'}
10.1021/jp953748q / J. Phys. Chem. (1996)
{'key': '2024020715140002900_r53'}
10.1021/j100308a038 / J. Phys. Chem. (1987)
10.1063/1.476482 / J. Chem. Phys. (1998)
10.1080/00268978200101361 / Mol. Phys. (1982)
10.1063/1.462805 / J. Chem. Phys. (1992)
{'key': '2024020715140002900_r58'}
{'key': '2024020715140002900_r59'}
10.1063/1.481505 / J. Chem. Phys. (2000)
10.1126/science.209.4455.451 / Science (1980)
10.1063/1.476656 / J. Chem. Phys. (1998)
10.1021/jp9900279 / J. Phys. Chem. (1999)
10.1063/1.1315333 / J. Chem. Phys. (2000)
{'key': '2024020715140002900_r65'}
10.1088/0034-4885/55/3/001 / Rep. Prog. Phys. (1992)
{'key': '2024020715140002900_r67'}

Dates

Type	When
Created	23 years ago (July 26, 2002, 10:14 a.m.)
Deposited	1 year, 6 months ago (Feb. 7, 2024, 4:41 p.m.)
Indexed	1 day, 6 hours ago (Aug. 24, 2025, 7:01 p.m.)
Issued	24 years, 8 months ago (Dec. 15, 2000)
Published	24 years, 8 months ago (Dec. 15, 2000)
Published Print	24 years, 8 months ago (Dec. 15, 2000)

Funders 0

None

BibTeX

@article{Luzar_2000, title={Resolving the hydrogen bond dynamics conundrum}, volume={113}, ISSN={1089-7690}, url={http://dx.doi.org/10.1063/1.1320826}, DOI={10.1063/1.1320826}, number={23}, journal={The Journal of Chemical Physics}, publisher={AIP Publishing}, author={Luzar, Alenka}, year={2000}, month=dec, pages={10663–10675} }

JSON

{
  "indexed": {
    "date-parts": [
      [
        2025,
        8,
        24
      ]
    ],
    "date-time": "2025-08-24T23:01:44Z",
    "timestamp": 1756076504969
  },
  "reference-count": 69,
  "publisher": "AIP Publishing",
  "issue": "23",
  "content-domain": {
    "domain": [
      "pubs.aip.org"
    ],
    "crossmark-restriction": true
  },
  "published-print": {
    "date-parts": [
      [
        2000,
        12,
        15
      ]
    ]
  },
  "abstract": "<jats:p>This paper analyzes dynamic properties of hydrogen bonds in liquid water. We use molecular dynamics simulation to calculate different probability densities that govern the time evolution of the formation and rupture of hydrogen bonds. We provide analytical connections between these functions. Excellent agreement with our simulation results is observed. We prove transition state theory rate constant to be identical to the inverse of the associated mean first passage time (hydrogen bond lifetime). Hence, the analysis establishes its Arrhenius temperature dependence. We give the explicit relation between reactive flux correlation function for the relaxation dynamics of hydrogen bonds, and their first passage time probability densities. All the different observations in the existing literature, associated with various estimates of hydrogen bonding times in liquid water that are affected (or not affected) by particular bond criteria, as well as by different definitions of hydrogen bond lifetimes applied in simulation, can be easily reconciled within the framework of reactive flux correlation function approach.</jats:p>",
  "DOI": "10.1063/1.1320826",
  "type": "journal-article",
  "created": {
    "date-parts": [
      [
        2002,
        7,
        26
      ]
    ],
    "date-time": "2002-07-26T14:14:52Z",
    "timestamp": 1027692892000
  },
  "page": "10663-10675",
  "update-policy": "http://dx.doi.org/10.1063/aip-crossmark-policy-page",
  "source": "Crossref",
  "is-referenced-by-count": 668,
  "title": "Resolving the hydrogen bond dynamics conundrum",
  "prefix": "10.1063",
  "volume": "113",
  "author": [
    {
      "given": "Alenka",
      "family": "Luzar",
      "sequence": "first",
      "affiliation": [
        {
          "name": "Department of Pharmaceutical Chemistry, University of California, San Francisco, California\u200994143-0446"
        },
        {
          "name": "Hilgard Hall-3110, University of California, Berkeley, California\u200994720-3110"
        }
      ]
    }
  ],
  "member": "317",
  "reference": [
    {
      "key": "2024020715140002900_r1",
      "doi-asserted-by": "crossref",
      "first-page": "951",
      "DOI": "10.1080/00268978400102761",
      "volume": "53",
      "year": "1984",
      "journal-title": "Mol. Phys."
    },
    {
      "key": "2024020715140002900_r2",
      "doi-asserted-by": "crossref",
      "first-page": "1913",
      "DOI": "10.1103/PhysRevA.31.1913",
      "volume": "31",
      "year": "1985",
      "journal-title": "Phys. Rev. A"
    },
    {
      "key": "2024020715140002900_r3",
      "doi-asserted-by": "crossref",
      "first-page": "2622",
      "DOI": "10.1103/PhysRevLett.80.2622",
      "volume": "80",
      "year": "1998",
      "journal-title": "Phys. Rev. Lett."
    },
    {
      "key": "2024020715140002900_r4",
      "doi-asserted-by": "crossref",
      "first-page": "1494",
      "DOI": "10.1063/1.479408",
      "volume": "111",
      "year": "1999",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "2024020715140002900_r5",
      "doi-asserted-by": "crossref",
      "first-page": "1068",
      "DOI": "10.1103/PhysRevLett.82.1068",
      "volume": "82",
      "year": "1999",
      "journal-title": "Phys. Rev. Lett."
    },
    {
      "key": "2024020715140002900_r6",
      "first-page": "1",
      "volume": "64",
      "year": "1986",
      "journal-title": "Adv. Chem. Phys."
    },
    {
      "key": "2024020715140002900_r7",
      "doi-asserted-by": "crossref",
      "first-page": "5676",
      "DOI": "10.1063/1.452545",
      "volume": "86",
      "year": "1987",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "2024020715140002900_r8",
      "doi-asserted-by": "crossref",
      "first-page": "2786",
      "DOI": "10.1063/1.455927",
      "volume": "90",
      "year": "1989",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "2024020715140002900_r9",
      "doi-asserted-by": "crossref",
      "first-page": "5156",
      "DOI": "10.1063/1.458652",
      "volume": "93",
      "year": "1990",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "2024020715140002900_r10",
      "doi-asserted-by": "crossref",
      "first-page": "3084",
      "DOI": "10.1063/1.470497",
      "volume": "103",
      "year": "1995",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "2024020715140002900_r11",
      "doi-asserted-by": "crossref",
      "first-page": "4350",
      "DOI": "10.1063/1.474776",
      "volume": "107",
      "year": "1997",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "2024020715140002900_r12",
      "doi-asserted-by": "crossref",
      "first-page": "622",
      "DOI": "10.1063/1.440819",
      "volume": "74",
      "year": "1981",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "2024020715140002900_r13",
      "doi-asserted-by": "crossref",
      "first-page": "3336",
      "DOI": "10.1063/1.1676585",
      "volume": "55",
      "year": "1971",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "2024020715140002900_r14",
      "doi-asserted-by": "crossref",
      "first-page": "1981",
      "DOI": "10.1063/1.459076",
      "volume": "93",
      "year": "1990",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "2024020715140002900_r15",
      "first-page": "1",
      "volume": "31",
      "year": "1975",
      "journal-title": "Adv. Chem. Phys."
    },
    {
      "key": "2024020715140002900_r16",
      "doi-asserted-by": "crossref",
      "first-page": "1151",
      "DOI": "10.1080/00268978300102931",
      "volume": "50",
      "year": "1983",
      "journal-title": "Mol. Phys."
    },
    {
      "key": "2024020715140002900_r17",
      "doi-asserted-by": "crossref",
      "first-page": "1351",
      "DOI": "10.1063/1.432402",
      "volume": "64",
      "year": "1976",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "2024020715140002900_r18",
      "doi-asserted-by": "crossref",
      "first-page": "5676",
      "DOI": "10.1063/1.452545",
      "volume": "86",
      "year": "1987",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "2024020715140002900_r19",
      "doi-asserted-by": "crossref",
      "first-page": "1757",
      "DOI": "10.1002/(SICI)1096-987X(19961130)17:15<1757::AID-JCC6>3.0.CO;2-O",
      "volume": "17",
      "year": "1996",
      "journal-title": "J. Comput. Chem."
    },
    {
      "key": "2024020715140002900_r19a",
      "doi-asserted-by": "crossref",
      "first-page": "403",
      "DOI": "10.1021/jp951561t",
      "volume": "100",
      "year": "1996",
      "journal-title": "J. Phys. Chem."
    },
    {
      "key": "2024020715140002900_r19b"
    },
    {
      "key": "2024020715140002900_r20",
      "doi-asserted-by": "crossref",
      "first-page": "639",
      "DOI": "10.1063/1.471932",
      "volume": "105",
      "year": "1996",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "2024020715140002900_r21",
      "doi-asserted-by": "crossref",
      "first-page": "449",
      "DOI": "10.1103/PhysRevE.61.449",
      "volume": "61",
      "year": "2000",
      "journal-title": "Phys. Rev. E"
    },
    {
      "key": "2024020715140002900_r22",
      "doi-asserted-by": "crossref",
      "first-page": "5196",
      "DOI": "10.1021/j100014a047",
      "volume": "99",
      "year": "1995",
      "journal-title": "J. Phys. Chem."
    },
    {
      "key": "2024020715140002900_r23",
      "doi-asserted-by": "crossref",
      "first-page": "897",
      "DOI": "10.1080/00268979909482891",
      "volume": "97",
      "year": "1999",
      "journal-title": "Mol. Phys."
    },
    {
      "key": "2024020715140002900_r24",
      "first-page": "67612",
      "volume": "29",
      "year": "1996",
      "journal-title": "Macromolecules"
    },
    {
      "key": "2024020715140002900_r25",
      "doi-asserted-by": "crossref",
      "first-page": "8160",
      "DOI": "10.1063/1.464521",
      "volume": "98",
      "year": "1993",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "2024020715140002900_r26"
    },
    {
      "key": "2024020715140002900_r27",
      "first-page": "55",
      "volume": "397",
      "year": "1996",
      "journal-title": "Nature (London)"
    },
    {
      "key": "2024020715140002900_r28",
      "doi-asserted-by": "crossref",
      "first-page": "4684",
      "DOI": "10.1063/1.1679032",
      "volume": "58",
      "year": "1973",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "2024020715140002900_r29"
    },
    {
      "key": "2024020715140002900_r30",
      "doi-asserted-by": "crossref",
      "first-page": "2959",
      "DOI": "10.1063/1.436049",
      "volume": "68",
      "year": "1978",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "2024020715140002900_r31"
    },
    {
      "key": "2024020715140002900_r32",
      "first-page": "C7",
      "volume": "45",
      "year": "1984",
      "journal-title": "J. Phys. (Paris)"
    },
    {
      "key": "2024020715140002900_r33",
      "doi-asserted-by": "crossref",
      "first-page": "1686",
      "DOI": "10.1103/PhysRevLett.64.1686",
      "volume": "64",
      "year": "1990",
      "journal-title": "Phys. Rev. Lett."
    },
    {
      "key": "2024020715140002900_r34",
      "doi-asserted-by": "crossref",
      "first-page": "2294",
      "DOI": "10.1103/PhysRevLett.82.2294",
      "volume": "82",
      "year": "1999",
      "journal-title": "Phys. Rev. Lett."
    },
    {
      "key": "2024020715140002900_r35",
      "doi-asserted-by": "crossref",
      "first-page": "433",
      "DOI": "10.1007/BF01323737",
      "volume": "86",
      "year": "1992",
      "journal-title": "Z. Phys. B: Condens. Matter"
    },
    {
      "key": "2024020715140002900_r36",
      "doi-asserted-by": "crossref",
      "first-page": "2705",
      "DOI": "10.1063/1.471664",
      "volume": "104",
      "year": "1996",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "2024020715140002900_r37",
      "doi-asserted-by": "crossref",
      "first-page": "928",
      "DOI": "10.1103/PhysRevLett.76.928",
      "volume": "76",
      "year": "1996",
      "journal-title": "Phys. Rev. Lett."
    },
    {
      "key": "2024020715140002900_r38",
      "doi-asserted-by": "crossref",
      "first-page": "267",
      "DOI": "10.1016/S0301-0104(00)00163-4",
      "volume": "258",
      "year": "2000",
      "journal-title": "Chem. Phys."
    },
    {
      "key": "2024020715140002900_r39",
      "first-page": "579",
      "volume": "62",
      "year": "2000",
      "journal-title": "Phys. Rev. E"
    },
    {
      "key": "2024020715140002900_r40",
      "doi-asserted-by": "crossref",
      "first-page": "851",
      "DOI": "10.1063/1.433153",
      "volume": "65",
      "year": "1976",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "2024020715140002900_r41",
      "doi-asserted-by": "crossref",
      "first-page": "251",
      "DOI": "10.1103/RevModPhys.62.251",
      "volume": "62",
      "year": "1990",
      "journal-title": "Rev. Mod. Phys."
    },
    {
      "key": "2024020715140002900_r42"
    },
    {
      "key": "2024020715140002900_r43"
    },
    {
      "key": "2024020715140002900_r44",
      "doi-asserted-by": "crossref",
      "first-page": "33",
      "DOI": "10.1080/00268978600100031",
      "volume": "57",
      "year": "1986",
      "journal-title": "Mol. Phys."
    },
    {
      "key": "2024020715140002900_r45",
      "doi-asserted-by": "crossref",
      "first-page": "306",
      "DOI": "10.1021/ar50104a005",
      "volume": "9",
      "year": "1976",
      "journal-title": "Acc. Chem. Res."
    },
    {
      "key": "2024020715140002900_r46"
    },
    {
      "key": "2024020715140002900_r47",
      "first-page": "205",
      "volume": "103",
      "year": "1996",
      "journal-title": "Faraday Discuss."
    },
    {
      "key": "2024020715140002900_r48",
      "first-page": "A403",
      "volume": "12",
      "year": "2000",
      "journal-title": "J. Phys.: Condens. Matter"
    },
    {
      "key": "2024020715140002900_r49",
      "first-page": "R1",
      "volume": "60",
      "year": "1999",
      "journal-title": "Phys. Rev. E"
    },
    {
      "key": "2024020715140002900_r50",
      "doi-asserted-by": "crossref",
      "first-page": "926",
      "DOI": "10.1063/1.445869",
      "volume": "79",
      "year": "1983",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "2024020715140002900_r51"
    },
    {
      "key": "2024020715140002900_r52",
      "doi-asserted-by": "crossref",
      "first-page": "12771",
      "DOI": "10.1021/jp953748q",
      "volume": "100",
      "year": "1996",
      "journal-title": "J. Phys. Chem."
    },
    {
      "key": "2024020715140002900_r53"
    },
    {
      "key": "2024020715140002900_r54",
      "doi-asserted-by": "crossref",
      "first-page": "6269",
      "DOI": "10.1021/j100308a038",
      "volume": "91",
      "year": "1987",
      "journal-title": "J. Phys. Chem."
    },
    {
      "key": "2024020715140002900_r55",
      "doi-asserted-by": "crossref",
      "first-page": "10220",
      "DOI": "10.1063/1.476482",
      "volume": "108",
      "year": "1998",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "2024020715140002900_r56",
      "doi-asserted-by": "crossref",
      "first-page": "513",
      "DOI": "10.1080/00268978200101361",
      "volume": "46",
      "year": "1982",
      "journal-title": "Mol. Phys."
    },
    {
      "key": "2024020715140002900_r57",
      "doi-asserted-by": "crossref",
      "first-page": "4681",
      "DOI": "10.1063/1.462805",
      "volume": "96",
      "year": "1992",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "2024020715140002900_r58"
    },
    {
      "key": "2024020715140002900_r59"
    },
    {
      "key": "2024020715140002900_r60",
      "doi-asserted-by": "crossref",
      "first-page": "8910",
      "DOI": "10.1063/1.481505",
      "volume": "112",
      "year": "2000",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "2024020715140002900_r61",
      "doi-asserted-by": "crossref",
      "first-page": "451",
      "DOI": "10.1126/science.209.4455.451",
      "volume": "209",
      "year": "1980",
      "journal-title": "Science"
    },
    {
      "key": "2024020715140002900_r62",
      "doi-asserted-by": "crossref",
      "first-page": "1125",
      "DOI": "10.1063/1.476656",
      "volume": "109",
      "year": "1998",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "2024020715140002900_r63",
      "doi-asserted-by": "crossref",
      "first-page": "5080",
      "DOI": "10.1021/jp9900279",
      "volume": "103",
      "year": "1999",
      "journal-title": "J. Phys. Chem."
    },
    {
      "key": "2024020715140002900_r64",
      "doi-asserted-by": "crossref",
      "first-page": "8736",
      "DOI": "10.1063/1.1315333",
      "volume": "113",
      "year": "2000",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "2024020715140002900_r65"
    },
    {
      "key": "2024020715140002900_r66",
      "doi-asserted-by": "crossref",
      "first-page": "241",
      "DOI": "10.1088/0034-4885/55/3/001",
      "volume": "55",
      "year": "1992",
      "journal-title": "Rep. Prog. Phys."
    },
    {
      "key": "2024020715140002900_r67"
    }
  ],
  "container-title": "The Journal of Chemical Physics",
  "original-title": [],
  "language": "en",
  "link": [
    {
      "URL": "https://pubs.aip.org/aip/jcp/article-pdf/113/23/10663/19327294/10663_1_online.pdf",
      "content-type": "application/pdf",
      "content-version": "vor",
      "intended-application": "syndication"
    },
    {
      "URL": "https://pubs.aip.org/aip/jcp/article-pdf/113/23/10663/19327294/10663_1_online.pdf",
      "content-type": "unspecified",
      "content-version": "vor",
      "intended-application": "similarity-checking"
    }
  ],
  "deposited": {
    "date-parts": [
      [
        2024,
        2,
        7
      ]
    ],
    "date-time": "2024-02-07T21:41:50Z",
    "timestamp": 1707342110000
  },
  "score": 1,
  "resource": {
    "primary": {
      "URL": "https://pubs.aip.org/jcp/article/113/23/10663/183853/Resolving-the-hydrogen-bond-dynamics-conundrum"
    }
  },
  "subtitle": [],
  "short-title": [],
  "issued": {
    "date-parts": [
      [
        2000,
        12,
        15
      ]
    ]
  },
  "references-count": 69,
  "journal-issue": {
    "issue": "23",
    "published-print": {
      "date-parts": [
        [
          2000,
          12,
          15
        ]
      ]
    }
  },
  "URL": "http://dx.doi.org/10.1063/1.1320826",
  "relation": {},
  "ISSN": [
    "0021-9606",
    "1089-7690"
  ],
  "subject": [],
  "published-other": {
    "date-parts": [
      [
        2000,
        12,
        15
      ]
    ]
  },
  "published": {
    "date-parts": [
      [
        2000,
        12,
        15
      ]
    ]
  }
}