Explicitly correlated coupled cluster calculations for the benzenium ion (C6H7+) and its complexes with Ne and Ar

Journal of Physical Chemistry A

Volumn 115, Issue 46, 2011, Pages 13664-13672

  Botschwina, Peter ^a   Oswald, Rainer ^a  

^a UNIVERSITY OF GÖTTINGEN   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

ANHARMONIC; ANHARMONIC CONTRIBUTIONS; ARGON ATOMS; BONDED STRUCTURE; C-C BONDS; CCSD; COUPLED-CLUSTER CALCULATIONS; COUPLED-CLUSTER THEORY; DISSOCIATION ENERGIES; ENERGY MINIMA; H-BONDS; HYDROGEN ATOMS; LOCAL ENERGY MINIMA; NUCLEAR CONFIGURATION; RARE GAS ATOMS; ROTATIONAL CONSTANTS; VIBRATIONAL WAVENUMBERS;

ARGON; ATOMS; DENSITY FUNCTIONAL THEORY; HYDROGEN; HYDROGEN BONDS; NUMERICAL METHODS;

NEON;

EID: 81555200648     PISSN: 10895639     EISSN: 15205215     Source Type: Journal    
DOI: 10.1021/jp207905t     Document Type: Article

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