A structure conformation analysis of three new lariat crown ethers based on theory and experiment

Journal of Molecular Structure

Volumn 702, Issue 1-3, 2004, Pages 23-31

  Su, Chia Ching ^a   Lu, Li Hwa ^b  

^a Chinese Naval Academy Kaohsiung   (Taiwan)

^b FOOYIN UNIVERSITY   (Taiwan)

Author keywords

6 31G; B3LYP; Energy gaps; HOMO and LUMO energies; Lariat crown ether

Indexed keywords

CROWN ETHER DERIVATIVE;

ARTICLE; CALCULATION; COMPUTER PROGRAM; CONFORMATION; CRYSTAL STRUCTURE; DENSITY FUNCTIONAL THEORY; ENERGY; EXPERIMENT; GEOMETRY; HEAT; IONIZATION; ISOMER; MASS SPECTROMETRY; MOLECULAR MECHANICS; MOLECULE; NEBULIZATION; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; SYNTHESIS; VIBRATION; X RAY CRYSTALLOGRAPHY;

EID: 3242686064     PISSN: 00222860     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.molstruc.2004.06.005     Document Type: Article

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