Assessing the performance of ab initio classical valence bond methods for hydrogen transfer reactions

Chemical Compounds

• Transfer Reaction 77%
• Valence 72%
• Hydrogen 41%
• Orbital 18%
• Perturbation Theory 17%
• Valence Bond Calculation 10%
• CASSCF Calculation 10%
• Coupled Cluster 9%
• Molecular Orbital 6%
• Error 5%
• Electronic State 5%
• Application 2%

Physics & Astronomy

• valence 60%
• hydrogen 50%
• performance 36%
• self consistent fields 35%
• breathing 13%
• orbitals 12%
• configuration interaction 12%
• chemical reactions 10%
• perturbation theory 9%
• molecular orbitals 5%
• electronic structure 4%
• configurations 3%

Medicine & Life Sciences

• Hydrogen Bonding 100%
• Respiration 27%
• Hydrogen 19%
• Datasets 13%