How Many Water Molecules Does it Take to Dissociate HCl
作者： Alba Vargas-Caamal , Jose Luis Cabellos , Filiberto Ortiz-Chi , Henry S. Rzepa , Albeiro Restrepo
关键词: Chemical physics 、 Molecule 、 Chemistry 、 Dissociation (chemistry) 、 Hydrogen bond 、 Chemical substance 、 Nanotechnology 、 Dipole 、 Ab initio quantum chemistry methods 、 Potential energy 、 Density functional theory
摘要: … the B2PLYPD3 dispersion-corrected double-hybrid functional67, 68 in conjunction with the def2-TZVP69 … discussion is based on the B2PLYPD3/def2-TZVP results. All computations are …
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