Intrastrand photolesion formation in thio-substituted DNA: A case study including single-reference and multireference methods

Keyphrases

• Multireference 100%
• Photoproducts 100%
• Single Reference 100%
• Thio 100%
• Thionucleosides 100%
• Photolesions 100%
• Structural Biology 33%
• Pair Density Functional Theory 33%
• Phototherapy 33%
• Multi-configuration 33%
• Density Functional Theory 33%
• Pharmacology 33%
• Prodrug 33%
• Possible Mechanisms 33%
• Photochemistry 33%
• Potential Energy Surface 33%
• Nucleobases 33%
• Reaction Mechanism 33%
• Cross-linked 33%
• Thymine 33%
• Quantum Mechanical Calculations 33%
• Triplet Excited State 33%
• Natural DNA 33%
• DNA Photodamage 33%
• Complete Active Space 33%
• Second-order Perturbation Theory 33%
• Natural Biopolymers 33%

Chemistry

• Deoxyribonucleic Acid 100%
• Multireference Method 100%
• formation 100%
• Density Functional Theory 66%
• k·p perturbation theory 33%
• Potential Energy Surface 33%
• Excited Triplet State 33%
• Prodrug 33%
• Nucleobase 33%
• Biopolymer 33%
• Perturbation Theory 33%
• Photochemical Reaction 33%
• Thymine 33%
• Quantum Mechanical Calculations 33%