Solvent effects in calculated vibrational Raman optical activity spectra of α-helices

Journal of Physical Chemistry A

Volumn 117, Issue 13, 2013, Pages 2760-2770

  Luber, Sandra ^a  

^a UNIVERSITY OF ZURICH   (Switzerland)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTATIONAL RESULTS; CONDUCTOR LIKE SCREENING MODELS; EXPLICIT WATER MOLECULES; HYDRATION PATTERNS; QUANTUM CHEMICAL CALCULATIONS; SOLVATION EFFECT; SOLVENT EFFECTS; VIBRATIONAL RAMAN OPTICAL ACTIVITIES;

AMIDES; HYDROGEN BONDS; MOLECULES; OPTICAL MATERIALS; QUANTUM CHEMISTRY;

HYDRATION;

SOLVENT;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; COMPUTER SIMULATION; DRUG STABILITY; HYDROGEN BOND; PROTEIN SECONDARY STRUCTURE; VIBRATION;

COMPUTER SIMULATION; DRUG STABILITY; HYDROGEN BONDING; MOLECULAR STRUCTURE; PROTEIN STRUCTURE, SECONDARY; SOLVENTS; VIBRATION;

EID: 84875838413     PISSN: 10895639     EISSN: 15205215     Source Type: Journal    
DOI: 10.1021/jp400105u     Document Type: Article

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