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13C-NMR spectroscopy of para-substituted benzylideneacetones. I. Long distance electronic effects
(Marcel Dekker Inc., 1997)
Para-benzylideneacetones present a characteristic long distance charge transfer pattern, where the olefinic bridge (CH=CH) and the aromatic ring (Ph) carbon centers are perturbed according to the nature of the para-substituent ...
A semiempirical quantum mechanical approach towards understanding of cyclopropenone reactivity
(Elsevier Science BvAmsterdamHolanda, 1996)
Crystal, Molecular, and Electronic Structure of 1-Acetyl-indoline and Derivatives
(1998-12-01)
The crystal and molecular structures of the following molecules have been determined: 1-acetyl-indoline, 1-acetyl-5-nitro-indoline, 1-acetyl-5-nitro-7-bromo-indoline, 1-acetyl-5-bromo-7-nitro-indoline, and 1-acetyl-5-bro ...
Crystal, Molecular, and Electronic Structure of 1-Acetyl-indoline and Derivatives
(1998-12-01)
The crystal and molecular structures of the following molecules have been determined: 1-acetyl-indoline, 1-acetyl-5-nitro-indoline, 1-acetyl-5-nitro-7-bromo-indoline, 1-acetyl-5-bromo-7-nitro-indoline, and 1-acetyl-5-bro ...
1π → 1π* ultraviolet absorption bands and electronic charge transfers in singlet excited states of sulfur aromatic heterocycles
(2005)
Indoline-2-thione (BC), benzimidazole-2-thione (BN), benzoxazole-2-thione (BO), and benzothiazole-2-thione (BS) define an interesting series of aromatic compounds containing a NCS synthonic unit in a heterocyclic ring of ...
ABINITIO MOLECULAR-ORBITAL CALCULATIONS OF THE POLAR TENSORS AND VIBRATIONAL INTENSITIES OF HC3N
(Elsevier Science BvAmsterdamHolanda, 1988)
13C-NMR spectroscopy of β-nitrostyrenes. II 11. Mono-, bi- and tri-methoxy phenyl-substitutions and long distance electronic effects
(Marcel Dekker Inc., 2000)
By means of 13C-NMR spectroscopy and AM1 molecular orbital calculations of mono-, bi- and tri-methoxy-β-nitrostyrenes at the meta and para positions, we have characterized a long distance electronic charge transfer pattern ...
Comparative parametric method 5 (PM5) study of trans-stilbene
(Elsevier Science BvAmsterdamHolanda, 2004)