Solvent effects on 2-methoxyethanol conformers: An ab initio DFT study using the SCI-PCModel

Journal of Molecular Structure

Volumn 482-483, Issue , 1999, Pages 621-625

  Gil, Francisco P S C ^a   Teixeira Dias, J J C ^b  

^a UNIVERSITY OF COIMBRA   (Portugal)

^b UNIVERSITY OF AVEIRO   (Portugal)

Author keywords

2 methoxyethanol; Self Consistent Isodensity Polarizable Continuum Model (SCI PCM); Self Consistent Reaction Field (SCRF); Solvent effects

Indexed keywords

2 METHOXYETHANOL; SOLVENT;

CALCULATION; CONFERENCE PAPER; CONFORMATION; CONTROLLED STUDY; DIELECTRIC CONSTANT; DIPOLE; GEOMETRY; HYDROGEN BOND; THEORY; VIBRATION;

EID: 0033602973     PISSN: 00222860     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0022-2860(98)00682-6     Document Type: Conference Paper

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