Density functional approach to the solvent effect on the dynamics of nonadiabatic electron transfer reactions

1995 ◽  
Vol 102 (8) ◽  
pp. 3172-3178 ◽  
Author(s):  
Alok Samanta ◽  
Swapan K. Ghosh
Keyword(s):  
Electron Transfer ◽  
Solvent Effect ◽  
Density Functional ◽  
Functional Approach ◽  
Transfer Reactions ◽  
Electron Transfer Reactions ◽  
Nonadiabatic Electron Transfer

scholarly journals A molecular density functional theory approach to electron transfer reactions

2019 ◽  
Vol 10 (7) ◽  
pp. 2130-2143 ◽  
Author(s):  
Guillaume Jeanmairet ◽  
Benjamin Rotenberg ◽  
Maximilien Levesque ◽  
Daniel Borgis ◽  
Mathieu Salanne
Keyword(s):  
Density Functional Theory ◽  
Electron Transfer ◽  
Density Functional ◽  
Transfer Reactions ◽  
Interfacial Water ◽  
Theory Approach ◽  
Computational Tool ◽  
Functional Theory ◽  
Electron Transfer Reactions ◽  
Molecular Density

Molecular density functional theory, an efficient computational tool, provides new insights into the study of electron transfer reactions in bulk and interfacial water.

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