Conformational analysis of organic carbonyl compounds. Part 7. Conformational properties of aroyl derivatives of furan and benzo [b] furan studied by X-ray crystallography, n.m.r. lanthanide-induced shifts, and ab-initio MO calculations

1987 ◽  
pp. 1443 ◽  
Author(s):  
Rois Benassi ◽  
Ugo Folli ◽  
Dario Iarossi ◽  
Luisa Schenetti ◽  
Ferdinando Taddei ◽  
...  
Keyword(s):  
Conformational Analysis ◽  
Ab Initio ◽  
Carbonyl Compounds ◽  
Mo Calculations ◽  
X Ray ◽  
X Ray Crystallography ◽  
Lanthanide Induced Shifts ◽  
Ab Initio Mo Calculations ◽  
Conformational Properties ◽  
Derivatives Of

A comparative X-ray diffraction study and ab initio MO calculations on amidocyanopyridinium methylide

1997 ◽  
Vol 406 (1-2) ◽  
pp. 45-49 ◽  
Author(s):  
Yasser Karzazi ◽  
Gheorghe Surpateanu ◽  
Catalin Neculai Lungu ◽  
Gerard Vergoten
Keyword(s):  
Ab Initio ◽  
Diffraction Study ◽  
X Ray Diffraction ◽  
Mo Calculations ◽  
X Ray ◽  
Ab Initio Mo Calculations ◽  
Ab Initio Mo

1,5-Diamino-1H-1,2,3,4-tetrazolium picrate: X-ray molecular and crystal structures and ab initio MO calculations

2003 ◽  
Vol 649 (3) ◽  
pp. 309-314 ◽  
Author(s):  
Vadim E Matulis ◽  
Alexander S Lyakhov ◽  
Pavel N Gaponik ◽  
Sergei V Voitekhovich ◽  
Oleg A Ivashkevich
Keyword(s):  
Ab Initio ◽  
Crystal Structures ◽  
Mo Calculations ◽  
X Ray ◽  
Ab Initio Mo Calculations ◽  
Molecular And Crystal Structures ◽  
Ab Initio Mo
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