Quantum chemical modeling of the reduction of cis-diammineplatinum(IV) tetrachloride [Pt(NH3 )2 Cl4 ] by methyl thiolate anion
Тип публикации: Journal Article
Дата публикации: 2005-04-11
scimago Q1
wos Q2
БС1
SJR: 0.933
CiteScore: 6.5
Impact factor: 4.8
ISSN: 01928651, 1096987X
PubMed ID:
15825188
General Chemistry
Computational Mathematics
Краткое описание
We present here both an ab initio and quantum mechanical/molecular mechanical (QM/MM) study of the cis‐[Pt(NH3)2Cl4] complex reduction by methyl thiolate anion, SCH 3− , which is used as a model of glutathione. Geometry and electronic structure of cis‐[Pt(NH3)2Cl4] are determined without and in aqueous medium. The mechanism of the reaction of reduction is characterized. The calculated activation energy of the reaction compares remarkably well with the experimental value. © 2005 Wiley Periodicals, Inc. J Comput Chem 26: 865–870, 2005
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Dobrogorskaia Méreau I. I., Nemukhin A. Quantum chemical modeling of the reduction of cis-diammineplatinum(IV) tetrachloride [Pt(NH3)2Cl4] by methyl thiolate anion // Journal of Computational Chemistry. 2005. Vol. 26. No. 9. pp. 865-870.
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Dobrogorskaia Méreau I. I., Nemukhin A. Quantum chemical modeling of the reduction of cis-diammineplatinum(IV) tetrachloride [Pt(NH3)2Cl4] by methyl thiolate anion // Journal of Computational Chemistry. 2005. Vol. 26. No. 9. pp. 865-870.
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TY - JOUR
DO - 10.1002/jcc.20224
UR - https://doi.org/10.1002/jcc.20224
TI - Quantum chemical modeling of the reduction of cis-diammineplatinum(IV) tetrachloride [Pt(NH3)2Cl4] by methyl thiolate anion
T2 - Journal of Computational Chemistry
AU - Dobrogorskaia Méreau, Ia I
AU - Nemukhin, Alexander
PY - 2005
DA - 2005/04/11
PB - Wiley
SP - 865-870
IS - 9
VL - 26
PMID - 15825188
SN - 0192-8651
SN - 1096-987X
ER -
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@article{2005_Dobrogorskaia Méreau,
author = {Ia I Dobrogorskaia Méreau and Alexander Nemukhin},
title = {Quantum chemical modeling of the reduction of cis-diammineplatinum(IV) tetrachloride [Pt(NH3)2Cl4] by methyl thiolate anion},
journal = {Journal of Computational Chemistry},
year = {2005},
volume = {26},
publisher = {Wiley},
month = {apr},
url = {https://doi.org/10.1002/jcc.20224},
number = {9},
pages = {865--870},
doi = {10.1002/jcc.20224}
}
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Dobrogorskaia Méreau, Ia I., and Alexander Nemukhin. “Quantum chemical modeling of the reduction of cis-diammineplatinum(IV) tetrachloride [Pt(NH3)2Cl4] by methyl thiolate anion.” Journal of Computational Chemistry, vol. 26, no. 9, Apr. 2005, pp. 865-870. https://doi.org/10.1002/jcc.20224.
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