Quantum mechanics/molecular mechanics study of the catalytic cycle of water splitting in photosystem II

Eduardo M. Sproviero; Joso A. Gascon; James P. McEvoy; Gary W. Brudvig; Victor S. Batista

doi:10.1021/ja076130q

Quantum mechanics/molecular mechanics study of the catalytic cycle of water splitting in photosystem II

Eduardo M. Sproviero
, Joso A. Gascon
, James P. McEvoy
, Gary W. Brudvig
, Victor S. Batista

Research output: Contribution to journal › Literature review › peer-review

Original language	English
Pages (from-to)	3428-3442
Number of pages	15
Journal	Journal of the American Chemical Society
Volume	130
Issue number	11
Early online date	22 Feb 2008
DOIs	https://doi.org/10.1021/ja076130q
Publication status	Published - 19 Mar 2008

UN SDGs

This output contributes to the following UN Sustainable Development Goals (SDGs)

SDG 7 Affordable and Clean Energy

Keywords

OXYGEN-EVOLVING COMPLEX
RAY-ABSORPTION SPECTROSCOPY
EXTENDED X-RAY
O BOND FORMATION
FTIR DIFFERENCE SPECTROSCOPY
BRIDGED MANGANESE DIMERS
TRANSITION-METAL DIMERS
IRON-SULFUR CLUSTERS
MN OXIDATION-STATES
ELECTRONIC-STRUCTURE

Access to Document

10.1021/ja076130q

http://pubs.acs.org/doi/abs/10.1021/ja076130q

Cite this

@article{60e6d5847320440a9b6b2c380f42ce30,

title = "Quantum mechanics/molecular mechanics study of the catalytic cycle of water splitting in photosystem II",

keywords = "OXYGEN-EVOLVING COMPLEX, RAY-ABSORPTION SPECTROSCOPY, EXTENDED X-RAY, O BOND FORMATION, FTIR DIFFERENCE SPECTROSCOPY, BRIDGED MANGANESE DIMERS, TRANSITION-METAL DIMERS, IRON-SULFUR CLUSTERS, MN OXIDATION-STATES, ELECTRONIC-STRUCTURE",

author = "Sproviero, \{Eduardo M.\} and Gascon, \{Joso A.\} and McEvoy, \{James P.\} and Brudvig, \{Gary W.\} and Batista, \{Victor S.\}",

year = "2008",

month = mar,

day = "19",

doi = "10.1021/ja076130q",

language = "English",

volume = "130",

pages = "3428--3442",

journal = "Journal of the American Chemical Society",

issn = "0002-7863",

publisher = "American Chemical Society",

number = "11",

}

TY - JOUR

T1 - Quantum mechanics/molecular mechanics study of the catalytic cycle of water splitting in photosystem II

AU - Sproviero, Eduardo M.

AU - Gascon, Joso A.

AU - McEvoy, James P.

AU - Brudvig, Gary W.

AU - Batista, Victor S.

PY - 2008/3/19

Y1 - 2008/3/19

KW - OXYGEN-EVOLVING COMPLEX

KW - RAY-ABSORPTION SPECTROSCOPY

KW - EXTENDED X-RAY

KW - O BOND FORMATION

KW - FTIR DIFFERENCE SPECTROSCOPY

KW - BRIDGED MANGANESE DIMERS

KW - TRANSITION-METAL DIMERS

KW - IRON-SULFUR CLUSTERS

KW - MN OXIDATION-STATES

KW - ELECTRONIC-STRUCTURE

U2 - 10.1021/ja076130q

DO - 10.1021/ja076130q

M3 - Literature review

SN - 0002-7863

VL - 130

SP - 3428

EP - 3442

JO - Journal of the American Chemical Society

JF - Journal of the American Chemical Society

IS - 11

ER -