Theoretical investigations of proton transfer reactions in a hydrogen bonded complex of cytosine with water

Chemical Compounds

• Ambient Reaction Temperature 13%
• Aqueous Solution 12%
• CASSCF Calculation 63%
• Cytosine 100%
• Energy 11%
• Excited Singlet State 50%
• Ground State 18%
• Hartree-Fock Calculation 28%
• Hartree-Fock Method 32%
• Hydrogen 47%
• Neutral Condition 26%
• Perturbation Theory 27%
• Proton Transfer 84%
• Reaction Path 24%
• Surface 7%
• Transfer Reaction 87%
• UV Radiation 27%
• Wave Function 27%

Physics & Astronomy

• aqueous solutions 21%
• configuration interaction 23%
• damage 16%
• decay 13%
• electronics 12%
• energy 6%
• excitation 34%
• geometry 39%
• ground state 15%
• hydrogen 57%
• interactions 9%
• optimization 30%
• perturbation theory 19%
• potential energy 19%
• protons 60%
• radiation 12%
• room temperature 12%
• self consistent fields 47%
• water 53%
• wave functions 18%