Hydrogen-bonding effects on infrared spectra from anharmonic computations: Uracil-water complexes and uracil dimers

Journal of Physical Chemistry A

Volumn 119, Issue 18, 2015, Pages 4224-4236

  Fornaro, Teresa ^a   Burini, Diletta ^b   Biczysko, Malgorzata ^c,d   Barone, Vincenzo ^a  

^a SCUOLA NORMALE SUPERIORE   (Italy)

^b UNIVERSITY OF PERUGIA   (Italy)

^c SHANGHAI UNIVERSITY   (China)

^d CNR   (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

AROMATIC COMPOUNDS; COMPLEXATION; COMPUTATION THEORY; COST EFFECTIVENESS; DIMERS; FUNCTIONAL GROUPS; PERTURBATION TECHNIQUES; QUANTUM THEORY; SPECTROSCOPY; VIBRATIONS (MECHANICAL);

COMPUTATIONAL METHODOLOGY; EXPERIMENTAL INVESTIGATIONS; HYDROGEN BONDING INTERACTIONS; HYDROGEN-BONDING EFFECTS; INTERMOLECULAR INTERACTIONS; PLUS POLARIZATION QUALITY; QUANTUM MECHANICAL COMPUTATIONS; VIBRATIONAL PERTURBATION THEORY;

HYDROGEN BONDS;

URACIL; WATER;

CHEMISTRY; DIMERIZATION; HYDROGEN BOND; INFRARED SPECTROPHOTOMETRY; QUANTUM THEORY;

DIMERIZATION; HYDROGEN BONDING; QUANTUM THEORY; SPECTROPHOTOMETRY, INFRARED; URACIL; WATER;

EID: 84928945226     PISSN: 10895639     EISSN: 15205215     Source Type: Journal    
DOI: 10.1021/acs.jpca.5b01561     Document Type: Article

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