Full-electron calculation of effective electronic couplings and excitation energies of charge transfer states: Application to hole transfer in DNA pi-stacks. [electronic resource]
- The Journal of chemical physics Sep 2009
- 114113 p. digital
Publication Type: Journal Article; Research Support, N.I.H., Extramural
1089-7690
10.1063/1.3232007 doi
Carbon Dioxide--chemistry Computer Simulation DNA--chemistry Dimerization Electron Transport--physiology Electronics Electrons--adverse effects Models, Chemical Models, Molecular Molecular Structure Nucleic Acid Conformation Quantum Theory Static Electricity Systems Theory