Intramolecular interactions in polymethylenic chains with polar end groups: The spectroscopic signature

Journal of Molecular Structure

Volumn 1009, Issue , 2012, Pages 130-140

  Milani, Alberto ^a   Castiglioni, Chiara ^a   Brambilla, Luigi ^a   Zerbi, Giuseppe ^a  

^a POLITECNICO DI MILANO   (Italy)

Author keywords

Alkyl chains; Atomic charges; DFT calculations; IR spectroscopy

Indexed keywords

ALKYL CHAIN; ATOMIC CHARGE; COMPUTATIONAL STUDIES; DFT CALCULATIONS; ELECTRONWITHDRAWING; END GROUPS; INFRARED SPECTRUM; INTRAMOLECULAR INTERACTIONS; IR FEATURES; NORMAL MODES; POLAR HEAD; SPECTROSCOPIC SIGNATURES; STRETCHING REGION;

INFRARED SPECTROSCOPY; MOLECULAR STRUCTURE; STRUCTURE (COMPOSITION);

DENSITY FUNCTIONAL THEORY;

EID: 84856953652     PISSN: 00222860     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.molstruc.2011.10.041     Document Type: Article

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