25 research outputs found
Molecular Design of Chemical Compounds with Prescribed Properties from QSAR Models Containing the Hosoya Index
Get PDFPhotoelectron Spectra and Conformational Behaviour of 3-Isopropenylcyclopropene Derivatives
Get PDFThe electronic and molecular structure of a series of 1,2-dialkyl (1-3) and 1,2-diphenyl-3-isopropenylcyclopropene (4) have been investigated by means of He(I) photoelectron spectroscopy and ab initio MO calculations. The changes in the lowest energy ionization along the series are interpreted in terms of conformotionally dependent conjugative interaction between the isopropenyl group and cyclopropenyl ring
Reactions of Sulfenic and Sulfoxylic Acid Derivatives with Olefins in the Presence of Sulfur Trioxide and its Complexes
No full textPhotoelectron Spectra and Conformational Behaviour of 3-Isopropenylcyclopropene Derivatives
Get PDFThe electronic and molecular structure of a series of 1,2-dialkyl (1-3) and 1,2-diphenyl-3-isopropenylcyclopropene (4) have been investigated by means of He(I) photoelectron spectroscopy and ab initio MO calculations. The changes in the lowest energy ionization along the series are interpreted in terms of conformotionally dependent conjugative interaction between the isopropenyl group and cyclopropenyl ring
Selectivity fields: comparative molecular field analysis (CoMFA) of the glycine/NMDA and AMPA receptors
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Rapid conversion of molecular graphs to three-dimensional representation using the MOLGEO program
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Molecular modelling of the human A2b adenosine receptor and an analysis of the binding modes of its selective ligands.
No full textThe first molecular model of the human A2b adenosine receptor has been created, and the binding modes of its selective ligands have been studied
Reactions of Nitrosonium Ethyl Sulfate with Olefins and Dienes: An Experimental and Theoretical Study
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