A 'bottom up', Ab initio computational approach to understanding fundamental photophysical processes in nitrogen containing heterocycles, DNA bases and base pairs

Keyphrases

• Non-radiative Decay 100%
• Computational Approach 100%
• Photophysical 100%
• DNA Sequencing 100%
• Nitrogen Heterocycles 100%
• Low Energy 33%
• Nucleobases 33%
• Guanine 33%
• Nitrogen Atom 33%
• Ring Structure 33%
• Photoexcitation 33%
• Photostability 33%
• Non-radial 33%
• Decay Mechanism 33%
• Indole 33%
• Heterocyclic Compounds 33%
• Nucleosides 33%
• Chemical Transformation 33%
• Conical Intersection 33%
• Ab Initio Electronic Structure Calculations 33%
• Potential Energy Surface 33%
• H-atom Transfer 33%
• Cytosine 33%
• Decay Process 33%
• Thymine 33%
• Ground Electronic State 33%
• Bicyclic Molecules 33%
• UV Excitation 33%
• Unicyclic 33%
• Deformation Rings 33%
• Structure Prior 33%
• Decay Pathways 33%
• Biomolecular Systems 33%
• Excited-state Decay 33%

Chemistry

• Deoxyribonucleic Acid 100%
• Electronic State 100%
• Pair-Base 100%
• Heterocyclic Compound 100%
• Structure 50%
• Ground State 50%
• Nitrogen Atom 50%
• Excited State 50%
• Indole 50%
• Chemical Transformation 50%
• Potential Energy Surface 50%
• Nucleoside 50%
• Nucleobase 50%
• Phenol 50%
• Thymine 50%
• Guanine 50%
• Cytosine 50%
• Adenine 50%

Material Science

• Surface Energy 100%
• Electronic Structure Calculation 100%