Near-IR laser generation of a high-energy conformer of L-alanine and the mechanism of its decay in a low-temperature nitrogen matrix

Journal of Chemical Physics

Volumn 138, Issue 12, 2013, Pages

  Nunes, Cláudio M ^a   Lapinski, Leszek ^a,b   Fausto, Rui ^a   Reva, Igor ^a  

^a UNIVERSITY OF COIMBRA   (Portugal)

^b INSTITUTE OF PHYSICS   (Poland)

Author keywords

[No Author keywords available]

Indexed keywords

LOW TEMPERATURES; LOW-TEMPERATURE NITROGEN; NEAR INFRARED; NEAR-IR LASERS; OH STRETCHING VIBRATIONS; PROTON TUNNELING; RELATIVE ENERGIES; SOLID NITROGEN;

DEPOSITION; INFRARED LASERS; NITROGEN; QUANTUM CHEMISTRY; SEPARATION; STRETCHING;

AMINO ACIDS;

ALANINE; NITROGEN;

ARTICLE; CHEMISTRY; CONFORMATION; INFRARED RADIATION; ISOLATION AND PURIFICATION; LASER; QUANTUM THEORY; TEMPERATURE;

ALANINE; INFRARED RAYS; LASERS; NITROGEN; NUCLEIC ACID CONFORMATION; QUANTUM THEORY; TEMPERATURE;

EID: 84875780030     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4795823     Document Type: Article

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42. -1 and with the simulated spectrum of conformer IIa at the B3LYP/aug-cc-pVTZ level; Cartesian coordinates, vibrational frequencies, and infrared intensities for of all minimum-energy structures of ALA calculated at MP2/6-311G(d,p), B3LYP/aug-cc-pVTZ, and QCISD/6-311G(d,p) levels