Proton transfer in a short hydrogen bond caused by solvation shell fluctuations: an ab initio MD and NMR/UV study of an (OHO)− bonded system
Christoph Allolio
2
,
Benjamin Koeppe
3
,
Gleb S. Denisov
1
,
H. G. LIMBACH
3
,
Peter M. Tolstoy
1, 5
Publication type: Journal Article
Publication date: 2015-01-07
scimago Q2
wos Q2
SJR: 0.698
CiteScore: 5.3
Impact factor: 2.9
ISSN: 14639076, 14639084
PubMed ID:
25586486
Physical and Theoretical Chemistry
General Physics and Astronomy
Abstract
The polar aprotic solvent fluctuations in the first solvation shell lead to a double-well potential and proton tautomerism in a low-barrier hydrogen bond.
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30
Total citations:
30
Citations from 2024:
3
(10%)
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GOST
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Pylaeva S. A. et al. Proton transfer in a short hydrogen bond caused by solvation shell fluctuations: an ab initio MD and NMR/UV study of an (OHO)− bonded system // Physical Chemistry Chemical Physics. 2015. Vol. 17. No. 6. pp. 4634-4644.
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Pylaeva S. A., Allolio C., Koeppe B., Denisov G. S., LIMBACH H. G., Sebastiani D., Tolstoy P. M. Proton transfer in a short hydrogen bond caused by solvation shell fluctuations: an ab initio MD and NMR/UV study of an (OHO)− bonded system // Physical Chemistry Chemical Physics. 2015. Vol. 17. No. 6. pp. 4634-4644.
Cite this
RIS
Copy
TY - JOUR
DO - 10.1039/C4CP04727C
UR - https://doi.org/10.1039/C4CP04727C
TI - Proton transfer in a short hydrogen bond caused by solvation shell fluctuations: an ab initio MD and NMR/UV study of an (OHO)− bonded system
T2 - Physical Chemistry Chemical Physics
AU - Pylaeva, Svetlana A
AU - Allolio, Christoph
AU - Koeppe, Benjamin
AU - Denisov, Gleb S.
AU - LIMBACH, H. G.
AU - Sebastiani, Daniel
AU - Tolstoy, Peter M.
PY - 2015
DA - 2015/01/07
PB - Royal Society of Chemistry (RSC)
SP - 4634-4644
IS - 6
VL - 17
PMID - 25586486
SN - 1463-9076
SN - 1463-9084
ER -
Cite this
BibTex (up to 50 authors)
Copy
@article{2015_Pylaeva,
author = {Svetlana A Pylaeva and Christoph Allolio and Benjamin Koeppe and Gleb S. Denisov and H. G. LIMBACH and Daniel Sebastiani and Peter M. Tolstoy},
title = {Proton transfer in a short hydrogen bond caused by solvation shell fluctuations: an ab initio MD and NMR/UV study of an (OHO)− bonded system},
journal = {Physical Chemistry Chemical Physics},
year = {2015},
volume = {17},
publisher = {Royal Society of Chemistry (RSC)},
month = {jan},
url = {https://doi.org/10.1039/C4CP04727C},
number = {6},
pages = {4634--4644},
doi = {10.1039/C4CP04727C}
}
Cite this
MLA
Copy
Pylaeva, Svetlana A., et al. “Proton transfer in a short hydrogen bond caused by solvation shell fluctuations: an ab initio MD and NMR/UV study of an (OHO)− bonded system.” Physical Chemistry Chemical Physics, vol. 17, no. 6, Jan. 2015, pp. 4634-4644. https://doi.org/10.1039/C4CP04727C.