Second-order Møller-Plesset second derivatives for the polarizable continuum model: Theoretical bases and application to solvent effects in electrophilic bromination of ethylene

Theoretical Chemistry Accounts

Volumn 111, Issue 2-6, 2004, Pages 66-77

  Cammi, Roberto ^a   Mennucci, Benedetta ^b   Pomelli, Christian ^b   Cappelli, Chiara ^b   Corni, Stefano ^c   Frediani, Luca ^a   Trucks, Gary W ^d   Frisch, Michael J ^d  

^a UNIVERSITY OF PARMA   (Italy)

^b UNIVERSITY OF PISA   (Italy)

^c UNIVERSITY OF MODENA AND REGGIO EMILIA   (Italy)

^d GAUSSIAN INC   (United States)

Author keywords

Continuum solvation; Electrophilic bromination; Polarizable continuum model; Second derivatives; Second order M ller Plesset

Indexed keywords

BROMINE; ETHYLENE; SOLVENT;

ARTICLE; BROMINATION; CALCULATION; CHEMICAL REACTION; ENERGY; POLARIZATION; REACTION ANALYSIS; THEORETICAL MODEL; THEORETICAL STUDY;

EID: 84962362107     PISSN: 1432881X     EISSN: None     Source Type: Journal    
DOI: 10.1007/s00214-003-0521-8     Document Type: Article

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