Western Michigan University / Supercomputing Institute / University of Minnesota / /
IndustryTerm
minimum energy / chemical tia reactions / experimental energy / potential energy surfaces / chemical reaction / minimum diabatic energy / energy / overall potential energy surface / chemical reactions / direct products / potential energy profile / relative energy / chemical bond / potential energy surface / minimum energy reaction path / gas phase / /
Organization
Supercomputing Institute / Western Michigan University / Department of Chemistry / University of Minnesota / / /
Submitted to Journal of Chemical Theory and Computation rR Fo An Effective Hamiltonian Molecular Orbital©¤Valence Bond (MOVB)