An ab initio molecular orbital-valence bond (MOVB) method for simulating chemical reactions in solution

Chemical Compounds

• Solvent Effect 96%
• Proton Transfer 90%
• Hamiltonian 76%
• Hartree-Fock Calculation 41%
• Wave Function 39%
• Ammonium Ion 38%
• Transfer Reaction 31%
• Molecular Orbital 30%
• Sampling 27%
• Ground State 26%
• Ammonia 25%
• Gibbs Free Energy 25%
• Band Gap 25%
• Electronic State 24%
• Force 22%
• Aqueous Solution 17%
• Energy 15%

Physics & Astronomy

• molecular orbitals 100%
• chemical reactions 91%
• valence 73%
• protons 32%
• potential energy 28%
• electronics 17%
• configuration interaction 17%
• ammonia 17%
• aqueous solutions 15%
• sampling 14%
• free energy 13%
• activation 13%
• wave functions 13%
• simulation 12%
• perturbation 11%
• ground state 11%
• water 9%
• ions 7%
• energy 4%

Medicine & Life Sciences

• Protons 77%
• Ammonium Compounds 32%
• Ammonia 28%
• Feasibility Studies 26%
• Ions 20%
• Water 16%