On the formation of proton-shared and contact ion pair forms during the dissociation of moderately strong acids: An Ab initio molecular dynamics investigation

Journal of Physical Chemistry B

Volumn 114, Issue 24, 2010, Pages 8147-8155

  Thomas, Vibin ^a   Maurer, Patrick ^a   Iftimie, Radu ^a  

^a UNIVERSITÉ DE MONTRÉAL   (Canada)

Author keywords

[No Author keywords available]

Indexed keywords

CARBOXYLATION; CARBOXYLIC ACIDS; IONS; MOLECULAR DYNAMICS; ORGANIC ACIDS; PROTONS; VIBRATING CONVEYORS;

AB INITIO MOLECULAR DYNAMICS; ACID IONIZATION; ACID MOLECULES; AVERAGE STRUCTURE; BONDING PATTERNS; CARBONYL VIBRATIONS; CONTACT ION PAIRS; SOLVATION SHELL; STRONG ACIDS; TRIFLUOROACETIC ACIDS; VIBRATION MODES;

DISSOCIATION;

EID: 77953748422     PISSN: 15206106     EISSN: 15205207     Source Type: Journal    
DOI: 10.1021/jp102822c     Document Type: Article

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