Concertedness and solvent effects in multiple proton transfer reactions: the formic acid dimer in solution

Journal of Chemical Physics

Volumn 112, Issue 21, 2000, Pages 9498-9508

  Kohanoff, J ^a,b   Koval, S ^a,c   Estrin, D A ^a,d   Laria, D ^a,e,f   Abashkin, Y ^g  

^a ABDUS SALAM INTERNATIONAL CENTRE FOR THEORETICAL PHYSICS   (Italy)

^b QUEEN'S UNIVERSITY BELFAST   (United Kingdom)

^c INSTITUTO DE FÍSICA ROSARIO   (Argentina)

^d Instituto de Quimica Fisica de los Materiales Medio Ambiente y Energia   (Argentina)

^e UNIVERSIDAD DE BUENOS AIRES   (Argentina)

^f DEPARTAMENTO DE FÍSICA   (Argentina)

^g NONE

Author keywords

[No Author keywords available]

Indexed keywords

ACTIVATION ENERGY; CHARGE TRANSFER; COMPUTER SIMULATION; DIMERS; HYDROGEN BONDS; MATHEMATICAL MODELS; MOLECULAR DYNAMICS; MOLECULAR STRUCTURE; PROBABILITY DENSITY FUNCTION; QUANTUM THEORY; WATER;

FORMIC ACID DIMER; MINIMUM ENERGY PATH; MULTIPLE PROTON TRANSFER; POTENTIAL ENERGY SURFACE; SOLVATION; SOLVENT POLARIZATION;

PROTONS;

EID: 0033719502     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.481585     Document Type: Article

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