Estimate of the reorganization energy for charge transfer in DNA

Keyphrases

• Guanine Base 100%
• Reorganization Energy 100%
• Charge Transfer 100%
• Thermal Fluctuations 100%
• Charge Transfer in DNA 100%
• Guanine 50%
• Dielectric Constant 50%
• Comparable Accuracy 50%
• Molecular Dynamics Simulation 50%
• Duplex 50%
• Hole Transport 50%
• Internal Reorganization 50%
• Linear Function 50%
• Activation Energy 50%
• Transfer Rate 50%
• Poisson Equation 50%
• DNA Fragments 50%
• Dielectric Model 50%
• S-values 50%
• Local Function 50%
• DNA Duplex 50%
• Linear Fit 50%
• Model Shape 50%
• Hetero-dielectric 50%
• Solvent Reorganization Energy 50%
• B3LYP/6-31G 50%
• Via Structure 50%
• Shape Constant 50%
• Intermediate Base 50%
• Polarization Response 50%
• Molecular Dynamics Trajectories 50%

Chemistry

• Deoxyribonucleic Acid 100%
• Reorganization Energy 100%
• Guanine 60%
• Dielectric Material 40%
• Donor 20%
• Dielectric Constant 20%
• Molecular Dynamics 20%
• Pair-Base 20%
• Reaction Activation Energy 20%
• Rate Constant 20%
• DFT-B3LYP Calculation 20%
• Permittivity 20%
• Molecular dynamics simulation 20%