A molecular dynamics simulation of photo-induced electron transfer in an organic donor—acceptor compound

1992 ◽  
Vol 195 (4) ◽  
pp. 388-392 ◽  
Author(s):  
Martin J. Field
Keyword(s):  
Molecular Dynamics ◽  
Electron Transfer ◽  
Molecular Dynamics Simulation ◽  
Dynamics Simulation ◽  
Donor Acceptor ◽  
Photo Induced Electron Transfer

Self-assembly of donor–acceptor semiconducting polymers in solution thin films: a molecular dynamics simulation study

2017 ◽  
Vol 5 (37) ◽  
pp. 9602-9610 ◽  
Author(s):  
Makoto Yoneya ◽  
Satoshi Matsuoka ◽  
Jun’ya Tsutsumi ◽  
Tatsuo Hasegawa
Keyword(s):  
Thin Film ◽  
Thin Films ◽  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Simulation Study ◽  
Self Assembly ◽  
Semiconducting Polymers ◽  
Dynamics Simulation ◽  
Polymer Thin Film ◽  
Donor Acceptor

The direction of π-stacking in a polymer thin film is crucially important in applications of semiconducting polymers.

Theoretical analyses of the fluorescence lifetimes of the d-amino acid oxidase–benzoate complex dimer from porcine kidney: molecular dynamics simulation and photoinduced electron transfer

RSC Advances ◽  
2014 ◽  
Vol 4 (96) ◽  
pp. 54096-54108 ◽  
Author(s):  
Arthit Nueangaudom ◽  
Kiattisak Lugsanangarm ◽  
Somsak Pianwanit ◽  
Sirirat Kokpol ◽  
Nadtanet Nunthaboot ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Electron Transfer ◽  
Amino Acid ◽  
Molecular Dynamics Simulation ◽  
Photoinduced Electron Transfer ◽  
Aromatic Amino Acids ◽  
Dynamics Simulation ◽  
Acid Oxidase ◽  
Amino Acid Oxidase ◽  
Electron Transfer Theory

The mechanism of photoinduced electron transfer from benzoate and aromatic amino acids to the excited isoalloxazine in the d-amino acid oxidase–benzoate complex dimer was studied using molecular dynamics simulation and an electron transfer theory.

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