Structural, energetic, and electronic properties of (CH3CN) 2-8 clusters by density functional theory

Journal of Molecular Structure: THEOCHEM

Volumn 673, Issue 1-3, 2004, Pages 155-164

  Mata, R A ^a,b   Costa Cabral, B J ^a,b  

^a UNIVERSITY OF LISBON   (Portugal)

^b UNIVERSITY OF LISBON   (Portugal)

Author keywords

Acetonitrile; Density functional theory; Dipole moment

Indexed keywords

ACETONITRILE; DIMER; HYDROGEN; MONOMER; TETRAMER;

ARTICLE; CHEMICAL INTERACTION; CHEMICAL STRUCTURE; COMPARATIVE STUDY; DENSITY FUNCTIONAL THEORY; DIPOLE; ELECTROCHEMICAL ANALYSIS; ELECTROCHEMISTRY; ENERGY; EXPERIMENT; HYDROGEN BOND; LIQUID; MOLECULE; POLARIZATION; PREDICTION; STRUCTURE ANALYSIS;

EID: 1542291142     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.theochem.2003.12.011     Document Type: Article

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