Vibrational absorption and vibrational circular dichroism spectra of leucine in water under different pH conditions: Hydrogen-bonding interactions with water

Journal of Chemical Physics

Volumn 137, Issue 19, 2012, Pages

  Poopari, Mohammad Reza ^a   Zhu, Peiyan ^a   Dezhahang, Zahra ^a   Xu, Yunjie ^a  

^a UNIVERSITY OF ALBERTA   (Canada)

Author keywords

[No Author keywords available]

Indexed keywords

BULK WATER; DEPROTONATED FORM; GEOMETRY OPTIMIZATION; HARMONIC FREQUENCY; HYDROGEN BONDING INTERACTIONS; HYDROGEN BONDING NETWORK; MOLECULAR DYNAMICS SIMULATIONS; NEAR-NEUTRAL CONDITIONS; PH CONDITION; POLARIZABLE CONTINUUMS; PROTONATED; RADIAL DISTRIBUTION FUNCTIONS; SOLVATED CLUSTERS; SOLVATION MODELS; STABLE CONFORMERS; VIBRATIONAL ABSORPTION; VIBRATIONAL CIRCULAR DICHROISM SPECTROSCOPY; VIBRATIONAL CIRCULAR DICHROISM SPECTRUM; WATER MOLECULE;

AMINO ACIDS; DICHROISM; FUNCTIONAL GROUPS; HYDROGEN BONDS; MOLECULAR DYNAMICS; MOLECULES; SOLVATION;

WATER ABSORPTION;

LEUCINE; WATER;

ARTICLE; CHEMICAL MODEL; CHEMISTRY; CIRCULAR DICHROISM; COMPUTER SIMULATION; HYDROGEN BOND; METHODOLOGY; PH;

CIRCULAR DICHROISM; COMPUTER SIMULATION; HYDROGEN BONDING; HYDROGEN-ION CONCENTRATION; LEUCINE; MODELS, CHEMICAL; WATER;

EID: 84870221735     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4767401     Document Type: Article

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