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Concluding discussion
Concluding discussion
Nuclear-electronic orbital approach: Electron-proton correlation, multicomponent density functional theory, and tunneling splittings
Overview talk: Free energies of chemical reactions in solution and in enzymes with Ab initio quantum mechanics/molecular mechanics methods
Path integral and semiclassical methods for quantum dynamics
Self consistent polarization electronic structure
Surface hopping dynamics with direct semiempirical solution of the electronic problem
Trajectory studies of gas/liquid reactions