Experimental and Ab Initio computational studies on 4-(benzhydryloxy) phthalonitrile

Molecular Crystals and Liquid Crystals

Volumn 537, Issue , 2011, Pages 111-127

  Saraçoǧlu, Hanife ^a   Güntepe, Feyizan ^a   Yüksektepe, Çiǧdem ^b   Çalişkan, Nezihe ^a   Saydam, Sinan ^c  

^a ONDOKUZ MAYIS UNIVERSITY   (Turkey)

^b CANKIRI KARATEKIN UNIVERSITY   (Turkey)

^c FIRAT UNIVERSITY   (Turkey)

Author keywords

Ab initio calculation; Conformational analysis; Frontier molecular orbitals; IR spectra; X ray structure determination

Indexed keywords

AB INITIO CALCULATIONS; CONFORMATIONAL ANALYSIS; FRONTIER MOLECULAR ORBITALS; IR SPECTRUM; X-RAY STRUCTURE DETERMINATION;

CHEMICAL BONDS; COMPUTATIONAL CHEMISTRY; DENSITY FUNCTIONAL THEORY; MOLECULAR MODELING; MOLECULAR ORBITALS; THERMODYNAMIC PROPERTIES;

CALCULATIONS;

EID: 79956337237     PISSN: 15421406     EISSN: 15635287     Source Type: Journal    
DOI: 10.1080/15421406.2011.556412     Document Type: Article

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