A theoretical and matrix-isolation FT-IR investigation of the conformational landscape of N-acetylcysteine

Journal of Molecular Spectroscopy

Volumn 261, Issue 2, 2010, Pages 73-81

  Boeckx, Bram ^a   Ramaekers, Riet ^a   Maes, Guido ^a  

^a UNIVERSITY OF LEUVEN   (Belgium)

Author keywords

Ab initio; Conformations; Frequencies; FT IR; Matrix isolation; N acetylcysteine

Indexed keywords

AB INITIO; ARGON MATRICES; CONFORMATIONAL BEHAVIOR; DIFFERENT GEOMETRY; ENERGY DIFFERENCES; EXPERIMENTAL SPECTRA; FT-IR INVESTIGATION; GEOMETRY OPTIMIZATION; MATRIX-ISOLATION; N-ACETYLCYSTEINE; RELATIVE ENERGIES; SMALL MOLECULES; THERMODYNAMICAL PROPERTIES;

ARGON; QUANTUM CHEMISTRY;

CONFORMATIONS;

EID: 77955230222     PISSN: 00222852     EISSN: 1096083X     Source Type: Journal    
DOI: 10.1016/j.jms.2010.03.007     Document Type: Article

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