The accuracy of local MP2 methods for conformational energies

Molecular Physics

Volumn 106, Issue 15, 2008, Pages 1899-1906

  Kaminsky, Jakub ^a   Mata, Ricardo A ^b,d   Werner, Hans Joachim ^b   Jensen, Frank ^c  

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

^b UNIVERSITY OF STUTTGART   (Germany)

^c AARHUS UNIVERSITY   (Denmark)

^d UNIVERSITY OF LISBON   (Portugal)

Author keywords

Ab initio; Computational chemistry; Electronic structure; Quantum chemistry

Indexed keywords

AMINES; CHEMISTRY; ELECTRONIC STRUCTURE; MOLECULAR ORBITALS;

AB INITIO; ACCURATE; BASIS SETS; COMPUTATION TIMES; COMPUTATIONAL CHEMISTRY; CONFORMATIONAL ENERGIES; CONSISTENT; ENERGY DIFFERENCES; HELICAL STRUCTURES; LMP2 CALCULATIONS; OCTAPEPTIDES; PEPTIDE MODELS; RANGING; RELATIVE ENERGIES; SMALL SYSTEMS; SUPERPOSITION EFFECTS; ZETA QUALITIES;

CORRELATION METHODS;

EID: 54049096789     PISSN: 00268976     EISSN: 13623028     Source Type: Journal    
DOI: 10.1080/00268970802360355     Document Type: Article

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