Ab initio molecular dynamics of protonated dialanine and comparison to infrared multiphoton dissociation experiments

Journal of Physical Chemistry A

Volumn 110, Issue 28, 2006, Pages 8802-8810

  Marinica, D C ^a   Gregoire G ^b   Desfrancois C ^b   Schermann, J P ^b   Borgis, D ^a   Gaigeot, M P ^a,c  

^a Centre National de la Recherche Scientifique   (France)

^b UNIVERSITÉ PARIS 13   (France)

^c UNIVERSITÉ PIERRE ET MARIE CURIE   (France)

Author keywords

[No Author keywords available]

Indexed keywords

ABSORPTION; DISSOCIATION; ELECTRONIC STRUCTURE; INFRARED RADIATION; MOLECULAR DYNAMICS; PHOTONS; SPECTRUM ANALYSIS; THERMAL EFFECTS;

INFRARED MULTIPHOTON DISSOCIATION; PROTON TRANSFER; PROTONATED DIALANINE; VIBRATIONAL PROPERTIES;

MULTIPHOTON PROCESSES;

ALANINE; PROTON;

ARTICLE; CHEMICAL MODEL; CHEMICAL STRUCTURE; CHEMISTRY; COMPARATIVE STUDY; COMPUTER SIMULATION; CONFORMATION; DIMERIZATION; INFRARED SPECTROPHOTOMETRY; ISOMERISM; METHODOLOGY; PHASE TRANSITION; RAMAN SPECTROMETRY; TEMPERATURE;

ALANINE; COMPUTER SIMULATION; DIMERIZATION; ISOMERISM; MODELS, CHEMICAL; MODELS, MOLECULAR; MOLECULAR CONFORMATION; MOLECULAR STRUCTURE; PHASE TRANSITION; PROTONS; SPECTROPHOTOMETRY, INFRARED; SPECTRUM ANALYSIS, RAMAN; TEMPERATURE;

EID: 33746887372     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp062114o     Document Type: Article

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