Theoretical modeling of chemical reactions in complex environments: The intramolecular proton transfer in aqueous malonaldehyde

Journal of Physical Organic Chemistry

Volumn 19, Issue 8-9, 2006, Pages 518-530

  Aschi, Massimiliano ^a   D'Abramo, Marco ^b   Ramondo, Fabio ^a   Daidone, Isabella ^b   D'Alessandro, Maira ^b   Di Nola, Alfredo ^b   Amadei, Andrea ^c  

^a UNIVERSITY OF L'AQUILA   (Italy)

^b SAPIENZA UNIVERSITY OF ROME   (Italy)

^c UNIVERSITY OF ROME TOR VERGATA   (Italy)

Author keywords

Chemical kinetics; Molecular dynamics; Quantum mechanics; Statistical mechanics

Indexed keywords

CHEMICAL MODIFICATION; FREE ENERGY; MOLECULAR DYNAMICS; PROTONS; QUANTUM THEORY; REACTION KINETICS; STATISTICAL MECHANICS;

PERTURBED MATRIX METHOD (PMM); PROTON TRANSFER REACTION; QUASI GAUSSIAN ENTROPY (QGE) THEORY; THEORETICAL MODELING;

ALDEHYDES;

EID: 33846502070     PISSN: 08943230     EISSN: 10991395     Source Type: Journal    
DOI: 10.1002/poc.1051     Document Type: Conference Paper

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