Highly accurate incremental CCSD(T) calculations on aqua-and amine-complexes

Molecular Physics

Volumn 111, Issue 9-11, 2013, Pages 1161-1172

  Anacker, Tony ^a   Friedrich, Joachim ^a  

^a CHEMNITZ UNIVERSITY OF TECHNOLOGY   (Germany)

Author keywords

ab initio; electron correlation methods; incremental scheme; plesset perturbation theory; zeta basis sets

Indexed keywords

AB INITIO; BASIS SETS; DISSOCIATION REACTIONS; INCREMENTAL SCHEME; MEAN ABSOLUTE DEVIATIONS; PLESSET PERTURBATION-THEORY; ROOT MEAN SQUARE DEVIATIONS; STATISTICAL MEASURES; HIGHLY ACCURATE;

BENCHMARKING; BINDING ENERGY; CALCULATIONS; ELECTRON CORRELATIONS; PERTURBATION TECHNIQUES; QUANTUM CHEMISTRY;

COMPLEXATION; ELECTRON CORRELATIONS;

EID: 84882448833     PISSN: 00268976     EISSN: 13623028     Source Type: Journal    
DOI: 10.1080/00268976.2013.781693     Document Type: Article

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