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 journal › Literature review › peer-review
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 journal › Literature review › peer-review
}
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 -