Structure and nonlinear electrical properties of squaric acid derivatives: a theoretical study of the conformation and deprotonation effects
β Scribed by M. Spassova; T. Kolev; I. Kanev; D. Jacquemin; B. Champagne
- Book ID
- 114144007
- Publisher
- Elsevier Science
- Year
- 2000
- Tongue
- English
- Weight
- 307 KB
- Volume
- 528
- Category
- Article
- ISSN
- 0166-1280
No coin nor oath required. For personal study only.
π SIMILAR VOLUMES
The 2-methylaminotetrahydropyran was used as a model to study conformational properties of the N-glycosidic linkage in glycosylamines. Relaxed two-dimensional conformational (%, 9 ) maps in 20 solvents were calculated by a method in which the total energy is divided into the energy of the isolated m
In this study, we have investigated the energies, dipole moments, HOMO-LUMO energy differences and polarizability values of 3phenylthiophene and its fluoro-substitued derivatives as a function of the torsional angle. For each molecule, geometrical parameters have obtained using ab initio [Hartree-Fo