Mechanisms of double proton transfer. Theory and applications

Zeitschrift fur Physikalische Chemie

Volumn 222, Issue 8-9, 2008, Pages 1291-1309

  Smedarchina, Zorka ^a,b   Siebrand, Willem ^a,b   Fernández Ramos, Antonio ^b   Meana Pañeda, Ruben ^b  

^a NATIONAL RESEARCH COUNCIL CANADA   (Canada)

^b UNIVERSITY OF SANTIAGO DE COMPOSTELA   (Spain)

Author keywords

Double proton transfer; Stepwise and concerted mechanism

Indexed keywords

BENZOIC ACID; DIMERS; ELECTRONIC STRUCTURE; HYDROGEN BONDS; POTENTIAL ENERGY; QUANTUM CHEMISTRY;

CONCERTED MECHANISM; DOUBLE PROTON TRANSFER; FORCE FIELD CALCULATIONS; REACTION MECHANISM; REALISTIC SYSTEMS; STATIONARY POINTS; STRONG CORRELATION; TWO DIMENSIONAL (2 D);

PROTON TRANSFER;

EID: 57349155047     PISSN: 09429352     EISSN: None     Source Type: Journal    
DOI: 10.1524/zpch.2008.5389     Document Type: Article

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