Ab initio molecular dynamics of excited-state intramolecular proton transfer using multireference perturbation theory

Journal of Physical Chemistry A

Volumn 111, Issue 44, 2007, Pages 11302-11310

  Coe, Joshua D ^a   Levine, Benjamin G ^a   Martínez, Todd J ^a  

^a UNIVERSITY OF ILLINOIS AT URBANA CHAMPAIGN   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO MOLECULAR DYNAMICS; INTRAMOLECULAR PROTON TRANSFERS; METHYL SALICYLATES; MULTIREFERENCE PERTURBATION THEORY;

ELECTRONIC STRUCTURE; EXCITATION ENERGY; EXCITED STATES; MOLECULAR DYNAMICS; PERTURBATION TECHNIQUES;

PROTON TRANSFER;

PROTON; SALICYLIC ACID DERIVATIVE; SALICYLIC ACID METHYL ESTER;

ARTICLE; CHEMICAL MODEL; CHEMISTRY; QUANTUM THEORY; SPECTROSCOPY;

MODELS, CHEMICAL; PROTONS; QUANTUM THEORY; SALICYLATES; SPECTRUM ANALYSIS;

EID: 36348975051     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp072027b     Document Type: Article

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