Synthesis, structural characterization and conformational aspects of thenoylthiocarbamic-O-alkylesters

Journal of Molecular Structure

Volumn 936, Issue 1-3, 2009, Pages 37-45

  Gomes, Lígia R ^a,b   Low, John Nicolson ^c   Quesada, Antonio ^d   Santos, Luís M N B F ^b   Rocha, Marisa A A ^b   Schröder, Bernd ^e  

^a Departamento de Biologia   (Portugal)

^b UNIVERSITY OF PORTO   (Portugal)

^c UNIVERSITY OF ABERDEEN   (United Kingdom)

^d UNIVERSITY OF JAÉN   (Spain)

^e UNIVERSITY OF AVEIRO   (Portugal)

Author keywords

B3LYP; Conformation; Crystal structure; N Thenoylthiocarbamic O n alkylester; Odd and even effect

Indexed keywords

AB INITIO; B3LYP; CONFORMATIONAL ASPECTS; ENERGETIC DIFFERENCES; FT-IR SPECTRUM; FTIR SPECTROSCOPY; GASEOUS PHASE; GEOMETRY OPTIMIZATION; N-THENOYLTHIOCARBAMIC-O-N-ALKYLESTER; ODD AND EVEN EFFECT; STRUCTURAL CHARACTERIZATION; SUPRAMOLECULAR STRUCTURE; THERMO-PHYSICAL PROPERTY; X RAY DIFFRACTOMETRY;

COMPLEXATION; COMPUTATIONAL GEOMETRY; CONFORMATIONS; FOURIER TRANSFORM INFRARED SPECTROSCOPY; HYDROGEN; HYDROGEN BONDS; MOLECULAR CRYSTALS; SET THEORY; SINGLE CRYSTALS; THERMODYNAMIC PROPERTIES; X RAY DIFFRACTION ANALYSIS;

CRYSTAL STRUCTURE;

EID: 70349198897     PISSN: 00222860     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.molstruc.2009.07.013     Document Type: Article

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