Active site electronic structure and dynamics during metalloenzyme catalysis

2003 ◽  
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pp. 98-103 ◽  
Author(s):  
Oded Kleifeld ◽  
Anatoly Frenkel ◽  
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Irit Sagi
Keyword(s):  
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scholarly journals The Electronic Structure of FeV-cofactor in Vanadium-Dependent Nitrogenase

2021 ◽  
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Zhi-yong Yang ◽  
Emilio Jimenez-Vicente ◽  
Hayden Kallas ◽  
Dmitriy A Lukoyanov ◽  
Hao Yang ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Active Site ◽  
Resting State ◽  
Metal Cofactor ◽  
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The electronic structure of the active-site metal cofactor (FeV-cofactor) of resting-state V-dependent nitrogenase has been an open question, with earlier studies indicating that it exhibits a broad S = 3/2...

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1981 ◽  
Vol 103 (15) ◽  
pp. 4382-4388 ◽  
Author(s):  
K. W. Penfield ◽  
R. R. Gay ◽  
R. S. Himmelwright ◽  
N. C. Eickman ◽  
V. A. Norris ◽  
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Keyword(s):  
Electronic Structure ◽  
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Structure Determination ◽  
Active Site ◽  
Spectroscopic Studies ◽  
Blue Copper

scholarly journals Unravelling the electronic structure and dynamics of an isolated molecular rotary motor in the gas-phase

2017 ◽  
Vol 8 (9) ◽  
pp. 6141-6148 ◽  
Author(s):  
Reece Beekmeyer ◽  
Michael A. Parkes ◽  
Luke Ridgwell ◽  
Jamie W. Riley ◽  
Jiawen Chen ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Quantum Chemistry ◽  
Gas Phase ◽  
Photoelectron Spectroscopy ◽  
Structure And Dynamics ◽  
Quantum Chemistry Calculations ◽  
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Anion photoelectron spectroscopy and quantum chemistry calculations are employed to probe the electronic structure and dynamics of a unidirectional molecular rotary motor anion in the gas-phase.

scholarly journals Effect of Anisotropic Confinement on Electronic Structure and Dynamics of Band Edge Excitons in Inorganic Perovskite Nanowires

2020 ◽  
Vol 124 (9) ◽  
pp. 1867-1876 ◽  
Author(s):  
Brendan D. Folie ◽  
Jenna A. Tan ◽  
Jianmei Huang ◽  
Peter C. Sercel ◽  
Milan Delor ◽  
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Keyword(s):  
Electronic Structure ◽  
Band Edge ◽  
Inorganic Perovskite ◽  
Structure And Dynamics
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