Bridging the gap between the topological and orbital description of hydrogen bonding: The case of the formic acid dimer and its sulfur derivatives

Journal of Physical Chemistry A

Volumn 110, Issue 15, 2006, Pages 5102-5107

  Gutiérrez Oliva, Soledad ^a   Joubert, Laurent ^b   Adamo, Carlo ^b   Bulat, Felipe A ^a   Zagal, José H ^c   Toro Labbé, Alejandro ^a  

^a PONTIFICIA UNIVERSIDAD CATÓLICA DE CHILE   (Chile)

^b PSL RESEARCH UNIVERSITY   (France)

^c UNIVERSIDAD DE SANTIAGO DE CHILE   (Chile)

Author keywords

[No Author keywords available]

Indexed keywords

BIFURCATION (MATHEMATICS); CARBOXYLIC ACIDS; COMPLEXATION; DERIVATIVES; SULFUR COMPOUNDS; TOPOLOGY;

BIFURCATION TOPOLOGICAL INDEX; BOND-ENERGY; COMPLEXATION ENERGY; SULFUR DERIVATIVES;

HYDROGEN BONDS;

FORMIC ACID DERIVATIVE; SULFUR DERIVATIVE;

ARTICLE; CHEMICAL MODEL; CHEMISTRY; COMPUTER SIMULATION; DIMERIZATION; HYDROGEN BOND;

COMPUTER SIMULATION; DIMERIZATION; FORMIC ACIDS; HYDROGEN BONDING; MODELS, CHEMICAL; SULFUR COMPOUNDS;

EID: 33646393790     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp057139m     Document Type: Article

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