Achieving linear-scaling computational cost for the polarizable continuum model of solvation

Theoretical Chemistry Accounts

Volumn 111, Issue 2-6, 2004, Pages 90-100

  Scalmani, Giovanni ^a   Barone, Vincenzo ^a   Kudin, Konstantin N ^b   Pomelli, Christian S ^b,d   Scuseria, Gustavo E ^b   Frisch, Michael J ^c  

^a UNIVERSITY OF NAPLES FEDERICO II   (Italy)

^b RICE UNIVERSITY   (United States)

^c GAUSSIAN INC   (United States)

^d UNIVERSITY OF PISA   (Italy)

Author keywords

Continuum solvent model; Finite elements molecular surface; Linear scaling fast multipoles method

Indexed keywords

ALANINE DERIVATIVE;

CALCULATION; CHEMICAL REACTION; ELECTRICITY; MOLECULAR PHYSICS; REACTION ANALYSIS; REVIEW; SOLVATION; THEORETICAL MODEL; THEORETICAL STUDY;

EID: 84962428748     PISSN: 1432881X     EISSN: None     Source Type: Journal    
DOI: 10.1007/s00214-003-0527-2     Document Type: Review

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