Characterization of synthetic oxomanganese complexes and the inorganic core of the O-2-evolving complex in photosystem - II: Evaluation of the DFT/B3LYP level of theory. / Sproviero, E M ; Gascon, J A ; McEvoy, J P ; Brudvig, G W ; Batista, V S .

In: Journal of inorganic biochemistry, Vol. 100, No. 4, 04.2006, p. 786-800.

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Characterization of synthetic oxomanganese complexes and the inorganic core of the O-2-evolving complex in photosystem - II: Evaluation of the DFT/B3LYP level of theory. / Sproviero, E M ; Gascon, J A ; McEvoy, J P ; Brudvig, G W ; Batista, V S .

In: Journal of inorganic biochemistry, Vol. 100, No. 4, 04.2006, p. 786-800.

Research output: Contribution to journalLiterature review

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Sproviero, E M ; Gascon, J A ; McEvoy, J P ; Brudvig, G W ; Batista, V S . / Characterization of synthetic oxomanganese complexes and the inorganic core of the O-2-evolving complex in photosystem - II: Evaluation of the DFT/B3LYP level of theory. In: Journal of inorganic biochemistry. 2006 ; Vol. 100, No. 4. pp. 786-800.

BibTeX

@article{4f8b916e412a480bbb10e00d8b2fac55,
title = "Characterization of synthetic oxomanganese complexes and the inorganic core of the O-2-evolving complex in photosystem - II: Evaluation of the DFT/B3LYP level of theory",
keywords = "DFT/B3LYP, photosystem II, O-2-evolving complex, oxomanganese complex, exchange coupling, DENSITY-FUNCTIONAL THEORY, OXYGEN-EVOLVING COMPLEX, TRANSITION-METAL-COMPLEXES, O BOND FORMATION, PHOTOSYNTHETIC WATER OXIDATION, RAY-ABSORPTION SPECTROSCOPY, EXCHANGE-CORRELATION FUNCTIONALS, IRON-SULFUR CLUSTERS, MANGANESE CLUSTER, ELECTRONIC-STRUCTURE",
author = "Sproviero, {E M} and Gascon, {J A} and McEvoy, {J P} and Brudvig, {G W} and Batista, {V S}",
year = "2006",
month = apr
doi = "10.1016/j.jinorgbio.2006.01.017",
language = "English",
volume = "100",
pages = "786--800",
journal = "Journal of inorganic biochemistry",
issn = "0162-0134",
publisher = "Elsevier Inc.",
number = "4",

}

RIS

TY - JOUR

T1 - Characterization of synthetic oxomanganese complexes and the inorganic core of the O-2-evolving complex in photosystem - II: Evaluation of the DFT/B3LYP level of theory

AU - Sproviero, E M

AU - Gascon, J A

AU - McEvoy, J P

AU - Brudvig, G W

AU - Batista, V S

PY - 2006/4

Y1 - 2006/4

KW - DFT/B3LYP

KW - photosystem II

KW - O-2-evolving complex

KW - oxomanganese complex

KW - exchange coupling

KW - DENSITY-FUNCTIONAL THEORY

KW - OXYGEN-EVOLVING COMPLEX

KW - TRANSITION-METAL-COMPLEXES

KW - O BOND FORMATION

KW - PHOTOSYNTHETIC WATER OXIDATION

KW - RAY-ABSORPTION SPECTROSCOPY

KW - EXCHANGE-CORRELATION FUNCTIONALS

KW - IRON-SULFUR CLUSTERS

KW - MANGANESE CLUSTER

KW - ELECTRONIC-STRUCTURE

U2 - 10.1016/j.jinorgbio.2006.01.017

DO - 10.1016/j.jinorgbio.2006.01.017

M3 - Literature review

VL - 100

SP - 786

EP - 800

JO - Journal of inorganic biochemistry

JF - Journal of inorganic biochemistry

SN - 0162-0134

IS - 4

ER -