3P-107 Quantum chemical studies of electronic structures and chemical indices of the active site of metalloprotein : Application to Hemerythrin(The 46th Annual Meeting of the Biophysical Society of Japan)

2008 ◽  
Vol 48 (supplement) ◽  
pp. S144
Author(s):  
Yu Takano ◽  
Haruki Nakamura
Keyword(s):  
Annual Meeting ◽  
Active Site ◽  
Electronic Structures ◽  
Quantum Chemical ◽  
Biophysical Society ◽  
Chemical Studies ◽  
Quantum Chemical Studies

ESR, spectroscopic, and quantum-chemical studies on the electronic structures of complexes formed by Cu(I) with radicals

1986 ◽  
Vol 22 (1) ◽  
pp. 27-33
Author(s):  
N. P. Gritsan ◽  
O. M. Usov ◽  
N. V. Shokhirev ◽  
I. V. Khmelinskii ◽  
V. F. Plyusnin ◽  
...  
Keyword(s):  
Electronic Structures ◽  
Quantum Chemical ◽  
Chemical Studies ◽  
Quantum Chemical Studies

scholarly journals Interaction of methanol with the oxygen-evolving complex: atomistic models, channel identification, species dependence, and mechanistic implications

2016 ◽  
Vol 7 (10) ◽  
pp. 6463-6476 ◽  
Author(s):  
Marius Retegan ◽  
Dimitrios A. Pantazis
Keyword(s):  
Photosystem Ii ◽  
Active Site ◽  
Quantum Chemical ◽  
Oxygen Evolving Complex ◽  
Manganese Cluster ◽  
Channel Identification ◽  
Atomistic Models ◽  
Chemical Studies ◽  
Quantum Chemical Studies ◽  
Oxygen Evolving

Spectroscopy-oriented quantum chemical studies establish how methanol is delivered to the water-oxidizing active site of Photosystem II and how it interacts with the manganese cluster.

Diffusion and interactions of carbon dioxide and oxygen in the vicinity of the active site of Rubisco: Molecular dynamics and quantum chemical studies

2012 ◽  
Vol 137 (14) ◽  
pp. 145103 ◽  
Author(s):  
Morad M. El-Hendawy ◽  
José-Antonio Garate ◽  
Niall J. English ◽  
Stephen O’Reilly ◽  
Damian A. Mooney
Keyword(s):  
Carbon Dioxide ◽  
Molecular Dynamics ◽  
Active Site ◽  
Quantum Chemical ◽  
Chemical Studies ◽  
Quantum Chemical Studies
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