QM/MM computational studies of substrate water binding to the oxygen-evolving centre of photosystem II. / Sproviero, Eduardo M.; Shinopoulos, Katherine; Gascon, Jose A.; McEvoy, James P.; Brudvig, Gary W.; Batista, Victor S.

In: Philosophical Transactions of the Royal Society of London B: Biological Sciences, Vol. 363, No. 1494, 27.03.2008, p. 1149-1156.

Research output: Contribution to journalArticle

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QM/MM computational studies of substrate water binding to the oxygen-evolving centre of photosystem II. / Sproviero, Eduardo M.; Shinopoulos, Katherine; Gascon, Jose A.; McEvoy, James P.; Brudvig, Gary W.; Batista, Victor S.

In: Philosophical Transactions of the Royal Society of London B: Biological Sciences, Vol. 363, No. 1494, 27.03.2008, p. 1149-1156.

Research output: Contribution to journalArticle

Harvard

Sproviero, EM, Shinopoulos, K, Gascon, JA, McEvoy, JP, Brudvig, GW & Batista, VS 2008, 'QM/MM computational studies of substrate water binding to the oxygen-evolving centre of photosystem II', Philosophical Transactions of the Royal Society of London B: Biological Sciences, vol. 363, no. 1494, pp. 1149-1156. https://doi.org/10.1098/rstb.2007.2210

APA

Sproviero, E. M., Shinopoulos, K., Gascon, J. A., McEvoy, J. P., Brudvig, G. W., & Batista, V. S. (2008). QM/MM computational studies of substrate water binding to the oxygen-evolving centre of photosystem II. Philosophical Transactions of the Royal Society of London B: Biological Sciences, 363(1494), 1149-1156. https://doi.org/10.1098/rstb.2007.2210

Vancouver

Sproviero EM, Shinopoulos K, Gascon JA, McEvoy JP, Brudvig GW, Batista VS. QM/MM computational studies of substrate water binding to the oxygen-evolving centre of photosystem II. Philosophical Transactions of the Royal Society of London B: Biological Sciences. 2008 Mar 27;363(1494):1149-1156. https://doi.org/10.1098/rstb.2007.2210

Author

Sproviero, Eduardo M. ; Shinopoulos, Katherine ; Gascon, Jose A. ; McEvoy, James P. ; Brudvig, Gary W. ; Batista, Victor S. / QM/MM computational studies of substrate water binding to the oxygen-evolving centre of photosystem II. In: Philosophical Transactions of the Royal Society of London B: Biological Sciences. 2008 ; Vol. 363, No. 1494. pp. 1149-1156.

BibTeX

@article{58d7f0d166db4080ae140a120ca13d4f,
title = "QM/MM computational studies of substrate water binding to the oxygen-evolving centre of photosystem II",
keywords = "oxomanganese complexes, photosystem II, oxygen evolution, photosynthesis, quantum mechanics/molecular mechanics, density functional theory, DENSITY-FUNCTIONAL THEORY, MN OXIDATION-STATES, MANGANESE CLUSTER, O-2-EVOLVING COMPLEX, DIMANGANESE COMPLEXES, TRANSITION SERIES, OXIDIZING COMPLEX, OXO EXCHANGE, S-2 STATE, MECHANISM",
author = "Sproviero, {Eduardo M.} and Katherine Shinopoulos and Gascon, {Jose A.} and McEvoy, {James P.} and Brudvig, {Gary W.} and Batista, {Victor S.}",
year = "2008",
month = mar
day = "27",
doi = "10.1098/rstb.2007.2210",
language = "English",
volume = "363",
pages = "1149--1156",
journal = "Philosophical Transactions of the Royal Society of London B: Biological Sciences",
issn = "0962-8436",
publisher = "Royal Society of London",
number = "1494",

}

RIS

TY - JOUR

T1 - QM/MM computational studies of substrate water binding to the oxygen-evolving centre of photosystem II

AU - Sproviero, Eduardo M.

AU - Shinopoulos, Katherine

AU - Gascon, Jose A.

AU - McEvoy, James P.

AU - Brudvig, Gary W.

AU - Batista, Victor S.

PY - 2008/3/27

Y1 - 2008/3/27

KW - oxomanganese complexes

KW - photosystem II

KW - oxygen evolution

KW - photosynthesis

KW - quantum mechanics/molecular mechanics

KW - density functional theory

KW - DENSITY-FUNCTIONAL THEORY

KW - MN OXIDATION-STATES

KW - MANGANESE CLUSTER

KW - O-2-EVOLVING COMPLEX

KW - DIMANGANESE COMPLEXES

KW - TRANSITION SERIES

KW - OXIDIZING COMPLEX

KW - OXO EXCHANGE

KW - S-2 STATE

KW - MECHANISM

U2 - 10.1098/rstb.2007.2210

DO - 10.1098/rstb.2007.2210

M3 - Article

VL - 363

SP - 1149

EP - 1156

JO - Philosophical Transactions of the Royal Society of London B: Biological Sciences

JF - Philosophical Transactions of the Royal Society of London B: Biological Sciences

SN - 0962-8436

IS - 1494

ER -