Journal of Physical Chemistry B

, том 106 , издание 33 , страницы 8376-8381

Finite Temperature Behavior of H⁺(H₂O)₆ and H⁺(H₂O)₈

Тип публикации: Journal Article

Дата публикации: 2002-06-27

American Chemical Society (ACS)

Journal of Physical Chemistry B

scimago Q1

wos Q3

БС2

SJR: 0.742

CiteScore: 5.3

Impact factor: 2.9

ISSN: 15206106, 15205207, 10895647

DOI: 10.1021/jp0209042

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Materials Chemistry

Surfaces, Coatings and Films

Physical and Theoretical Chemistry

Краткое описание

The finite temperature behavior of H+(H2O)6 and H+(H2O)8 is investigated by means of parallel tempering Monte Carlo simulations in conjunction with the multistate empirical valence-bond method for describing the interactions. The temperature dependence of the constant volume configurational heat capacity, CV(T), of H+(H2O)8 reveals two sharp transitions, whereas that of H+(H2O)6 is devoid of sharp structure.

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Christie R., Jordan K. G. Finite Temperature Behavior of H+(H2O)6 and H+(H2O)8 // Journal of Physical Chemistry B. 2002. Vol. 106. No. 33. pp. 8376-8381.

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Christie R., Jordan K. G. Finite Temperature Behavior of H+(H2O)6 and H+(H2O)8 // Journal of Physical Chemistry B. 2002. Vol. 106. No. 33. pp. 8376-8381.

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TY - JOUR

DO - 10.1021/jp0209042

UR - https://doi.org/10.1021/jp0209042

TI - Finite Temperature Behavior of H+(H2O)6 and H+(H2O)8

T2 - Journal of Physical Chemistry B

AU - Christie, R.A

AU - Jordan, Kenneth G.

PY - 2002

DA - 2002/06/27

PB - American Chemical Society (ACS)

SP - 8376-8381

IS - 33

VL - 106

SN - 1520-6106

SN - 1520-5207

SN - 1089-5647

ER -

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@article{2002_Christie,

author = {R.A Christie and Kenneth G. Jordan},

title = {Finite Temperature Behavior of H+(H2O)6 and H+(H2O)8},

journal = {Journal of Physical Chemistry B},

year = {2002},

volume = {106},

publisher = {American Chemical Society (ACS)},

month = {jun},

url = {https://doi.org/10.1021/jp0209042},

number = {33},

pages = {8376--8381},

doi = {10.1021/jp0209042}

}

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Christie, R.A, and Kenneth G. Jordan. “Finite Temperature Behavior of H+(H2O)6 and H+(H2O)8.” Journal of Physical Chemistry B, vol. 106, no. 33, Jun. 2002, pp. 8376-8381. https://doi.org/10.1021/jp0209042.