Electronic structure, molecular electrostatic potential and hydrogen bonding in DMSO-X complexes (X = ethanol, methanol and water)

Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy

Volumn 79, Issue 3, 2011, Pages 654-660

  Dhumal, Nilesh R ^a  

^a CARNEGIE MELLON UNIVERSITY   (United States)

Author keywords

Frequency shift; Molecular electron density topology; Molecular electrostatic potential topology; Natural bond orbital analysis

Indexed keywords

BLUE SHIFT; BONDED INTERACTIONS; FREQUENCY SHIFT; HYDROGEN BONDINGS; INTERACTION STRENGTH; MOLECULAR ELECTRON DENSITY; MOLECULAR ELECTRON DENSITY TOPOLOGY; MOLECULAR ELECTROSTATIC POTENTIALS; NATURAL BOND ORBITAL ANALYSIS; NORMAL VIBRATIONS; THEORETICAL SPECTRA;

BINDING SITES; CARRIER CONCENTRATION; COMPLEXATION; DENSITY FUNCTIONAL THEORY; ELECTRON DENSITY MEASUREMENT; ELECTRONIC PROPERTIES; ELECTRONIC STRUCTURE; ELECTROSTATICS; ETHANOL; HYDROGEN; METHANOL; MOLECULAR INTERACTIONS; RAPID THERMAL ANNEALING; TOPOLOGY;

HYDROGEN BONDS;

ALCOHOL; DIMETHYL SULFOXIDE; METHANOL; WATER;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; ELECTRONICS; HYDROGEN BOND;

DIMETHYL SULFOXIDE; ELECTRONICS; ETHANOL; HYDROGEN BONDING; METHANOL; MODELS, MOLECULAR; WATER;

EID: 79956266556     PISSN: 13861425     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.saa.2011.03.052     Document Type: Article

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