Scaled MP3 non-covalent interaction energies agree closely with accurate CCSD(T) benchmark data

ChemPhysChem

Volumn 10, Issue 1, 2009, Pages 282-289

  Pitoňák, Michal ^a   Neogrády, Pavel ^b   Černý, Jiří ^a   Grimme, Stefan ^c   Hobza, Pavel ^a  

^a INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY   (Czech Republic)

^b Physics and Informatics   (Slovakia)

^c UNIVERSITY OF MÜNSTER   (Germany)

Author keywords

Benchmark calculations; Complete basis set limit; DNA nucleic acid; Molecular interactions; Porphine

Indexed keywords

CALCULATIONS; DIMERS; HYDROGEN BONDS; MOLECULAR INTERACTIONS;

BENCHMARK CALCULATIONS; COMPLETE BASIS SET LIMIT; EMPIRICAL PARAMETERS; FEASIBLE ALTERNATIVES; NON-COVALENT COMPLEXES; NON-COVALENT INTERACTION; NUCLEIC ACID BASE PAIRS; PORPHINE;

NUCLEIC ACIDS;

EID: 58149499025     PISSN: 14394235     EISSN: 14397641     Source Type: Journal    
DOI: 10.1002/cphc.200800718     Document Type: Article

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