Journal of Physical Chemistry A, volume 124, issue 31, pages 6352-6355
Isotope Effects Induced by Molecular Compression
Breslavskaya Natalia N
1, 2
,
Buchachenko A.A.
2, 3, 4, 5
1
4
Scientific Center of the Russian Academy of Sciences, Chernogolovka 142432, Russian Federation
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Publication type: Journal Article
Publication date: 2020-07-14
Journal:
Journal of Physical Chemistry A
Quartile SCImago
Q2
Quartile WOS
Q2
Impact factor: 2.9
ISSN: 10895639, 15205215
Physical and Theoretical Chemistry
Abstract
Zero-point energies (ZPEs) of hydroxyl ion and hydrogen and water molecules, free and compressed in C60 cages, are computed; the excess energy acquired by molecules under compression is in the range 2–3 kcal/mol and depends on the isotopes. The differences in ZPE of compressed isotopic molecules strongly exceed those of the free molecules, resulting in the large deuterium and tritium isotope effects. These effects induced by compression are suggested as a probe for testing molecular compression of enzymatic sites; they may be important for understanding enormously large isotope effects observed in some enzymatic reactions, where they are attributed to the tunneling.
Citations by journals
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1
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Russian Journal of Physical Chemistry B
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Russian Journal of Physical Chemistry B
1 publication, 33.33%
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Main Group Chemistry
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Main Group Chemistry
1 publication, 33.33%
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Russian Journal of Physical Chemistry A
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Russian Journal of Physical Chemistry A
1 publication, 33.33%
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1
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Citations by publishers
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1
2
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Pleiades Publishing
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Pleiades Publishing
2 publications, 66.67%
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IOS Press
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IOS Press
1 publication, 33.33%
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1
2
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- We do not take into account publications that without a DOI.
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GOST
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Breslavskaya N. N. et al. Isotope Effects Induced by Molecular Compression // Journal of Physical Chemistry A. 2020. Vol. 124. No. 31. pp. 6352-6355.
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Breslavskaya N. N., Buchachenko A. Isotope Effects Induced by Molecular Compression // Journal of Physical Chemistry A. 2020. Vol. 124. No. 31. pp. 6352-6355.
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TY - JOUR
DO - 10.1021/acs.jpca.0c05567
UR - https://doi.org/10.1021%2Facs.jpca.0c05567
TI - Isotope Effects Induced by Molecular Compression
T2 - Journal of Physical Chemistry A
AU - Breslavskaya, Natalia N
AU - Buchachenko, A.A.
PY - 2020
DA - 2020/07/14 00:00:00
PB - American Chemical Society (ACS)
SP - 6352-6355
IS - 31
VL - 124
SN - 1089-5639
SN - 1520-5215
ER -
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@article{2020_Breslavskaya,
author = {Natalia N Breslavskaya and A.A. Buchachenko},
title = {Isotope Effects Induced by Molecular Compression},
journal = {Journal of Physical Chemistry A},
year = {2020},
volume = {124},
publisher = {American Chemical Society (ACS)},
month = {jul},
url = {https://doi.org/10.1021%2Facs.jpca.0c05567},
number = {31},
pages = {6352--6355},
doi = {10.1021/acs.jpca.0c05567}
}
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MLA
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Breslavskaya, Natalia N., et al. “Isotope Effects Induced by Molecular Compression.” Journal of Physical Chemistry A, vol. 124, no. 31, Jul. 2020, pp. 6352-6355. https://doi.org/10.1021%2Facs.jpca.0c05567.