DFT study of structure and vibrational spectra of ceramide 3: Comparison to experimental data

Molecular Simulation

Volumn 38, Issue 11, 2012, Pages 872-881

  Mishra, Soni ^a   Tandon, Poonam ^b  

^a INDIAN INSTITUTE OF SCIENCE   (India)

^b UNIVERSITY OF LUCKNOW   (India)

Author keywords

ceramide; DFT; infrared; Raman spectra; stratum corneum

Indexed keywords

B3LYP FUNCTIONALS; BASIS SETS; CERAMIDES; DFT; DFT STUDY; ELECTROSTATIC POTENTIAL SURFACE; EQUILIBRIUM GEOMETRIES; EXPERIMENTAL DATA; FOURIER TRANSFORM RAMAN; HARMONIC VIBRATIONAL WAVENUMBERS; IR ABSORPTION INTENSITY; IR AND RAMAN SPECTRA; NORMAL MODES; STRATUM CORNEUM; WAVE NUMBERS;

DENSITY FUNCTIONAL THEORY; INFRARED RADIATION; RAMAN SCATTERING; VIBRATIONAL SPECTRA;

AMIDES;

EID: 84865685375     PISSN: 08927022     EISSN: 10290435     Source Type: Journal    
DOI: 10.1080/08927022.2012.662645     Document Type: Article

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