Silabutadienes. Internal Rotations and π-Conjugation. A Density Functional Theory Study

Journal of Physical Chemistry A

Volumn 112, Issue 50, 2008, Pages 13066-13079

  Xi, Hong Wei ^a   Kami, Miriam ^a   Apeloig, Yitzhak ^a  

^a TECHNION ISRAEL INSTITUTE OF TECHNOLOGY   (Israel)

Author keywords

[No Author keywords available]

Indexed keywords

BUTADIENE; CHEMICAL BONDS; DENSITY FUNCTIONAL THEORY; FUNCTIONS; JOINTS (ANATOMY); POTENTIAL ENERGY; POTENTIAL ENERGY SURFACES; QUANTUM CHEMISTRY; RESONANCE; ROTATION; WAVE EQUATIONS;

ANTIPERIPLANAR; B3LYP FUNCTIONAL; BARRIER HEIGHTS; BASIS SETS; BOND SEPARATIONS; CCSD; DOUBLE BONDS; GLOBAL MINIMUMS; INTERNAL ROTATIONS; LINEAR CORRELATIONS; RESONANCE ENERGIES; RESONANCE STABILIZATIONS; ROTAMER; ROTATION BARRIERS; S-TRANS; SINGLE BONDS; STABLE CONFORMERS;

SILICON;

EID: 58149173948     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp803837h     Document Type: Article

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