Quantum induced bond centering in microsolvated HCl: Solvent separated versus contact ion pairs

Journal of Physical Chemistry Letters

Volumn 2, Issue 24, 2011, Pages 3069-3074

  Walewski, Łukasz ^a   Forbert, Harald ^a   Marx, Dominik ^a  

^a RUHR UNIVERSITY BOCHUM   (Germany)

Author keywords

General Theory; Molecular Structure; Quantum Chemistry

Indexed keywords

AB INITIO PATH INTEGRAL SIMULATION; ACID DISSOCIATION; CLUSTER-SUPPORT; CONTACT ION PAIRS; DISSOCIATED ACID; DISTANCE DISTRIBUTION FUNCTIONS; GENERAL THEORY; ION PAIRS; MICROSOLVATION; NUCLEAR QUANTUM EFFECTS; QUANTUM EFFECTS; STRUCTURE MOTIFS; ZERO POINT MOTION; ZWITTERIONIC SPECIES;

HYDROGEN BONDS; INTERNET PROTOCOLS; MOLECULAR STRUCTURE; QUANTUM CHEMISTRY; QUANTUM ELECTRONICS;

CHLORINE COMPOUNDS;

EID: 84861364635     PISSN: None     EISSN: 19487185     Source Type: Journal    
DOI: 10.1021/jz2013819     Document Type: Article

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