Second-order Moller-Plesset second derivatives for the polarizable continuum model: theoretical bases and application to solvent effects in electrophilic bromination of ethylene
Articolo
Data di Pubblicazione:
2004
Tipologia CRIS:
01.01 Articolo in rivista
Keywords:
second-order Moller-Plesset; second derivatives; continuum solvation; polarizable continuum model; electrophilic bromination; INTR; COMPACT EFFECTIVE POTENTIALS; TRANSITION-STATE THEORY; EXPONENT BASIS-SETS; REACTION-PATH; ANALYTICAL DERIVATIVES; CHEMICAL-REACTIONS; ANISOTROPIC DIELECTRICS; POLYATOMIC-MOLECULES; ADDITION-REACTIONS
Elenco autori:
Corni, Stefano
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