The conformational potential of n -butane, ethyl methyl ether, n -propanol, methyl propyl ether, and 1,2-dimethoxyethane was calculated with different PCILO algorithms as well as with ab-initio SCF – LCAO – MO computations. Compared with ab-initio calculations, the conformational potentials ...
So you’d pull out your pen and calmly do the following analysis:total torsional strain of butane = [torsional strain of C1-C2 bond] + [torsional strain of C2-C3 bond] + [torsional strain of C3-C4 bond].This makes our lives much easier, which is why reductionism is awesome....
Values of Fi have been obtained by regression analysis of physical property data for a large number of organic compounds (640 compounds in the case of Hoy19). In the case of Small, all compounds (e.g., hydroxyl compounds, amines, and carboxylic acids) in which hydrogen bonding occurs were...
Interactive 3D animations of cyanohydrin conformations (not configurations) for students studying University chemistry courses
Interactive 3D animations of cis and trans decalins showing conformational changes for students on University chemistry courses.
The crystal and molecular structure of 4-hydroxy-2-oxo-1-pyrrolidineacetamide was determined by X-ray analysis. The molecular conformation found in the sol... G Bandoli,A Grassi,M Nicolini,... - 《Chemical & Pharmaceutical Bulletin》 被引量: 4发表: 2008年 Molecular docking analysis of α-...
This chapter starts with a relevant introduction followed by the portrayal of the following: Conformational analysis of chemical reactions: stereoelectronic effects and steric effects, conformationally rigid diastereomers, trans -2- trans -decalol and cis -2- cis -decalol, conformational energy, anan...
The crystal structures of ±,-bis(4-n-pentylanilinebenzylidene-4-oxy)butane and ±,-bis(4-n-pentylanilinebenzylidene-4-oxy)pentane have been determined by single crystal X-ray analysis. These molecules have even and odd chain length spacers linking two mesogenic groups, respectively, and are...
magnetic resonance, nuclear quadrupole resonance (organic substanceshalogen compounds (acyclic compoundsThe combined techniques of heteronuclear noise decoupling and carbon-13 satellite analysis were used to provide initial parameters for a complete analysis of the ten-spin system of CF3·CH2·CH2·CF3. ...
Interactive 3D animations of s-cis conformation of dienes required for Diels-Alder reactions for students studying University courses