The electronic structure of CuH q is investigated with the aid of HartreeαFock, density functional, coupled-cluster, and configuration interaction methods using an extended basis set. The energy of the ground state of CuH q is calculated over a range of Cu-H bond lengths. More than one solution is o
Investigation of the optimum parameters for a helical heliac
β Scribed by Yukihide Osabe; Sumio Kogoshi; Joji Maeda; Makoto Katsurai; Hiroshi Yamada; Kohnosuke Sato
- Publisher
- John Wiley and Sons
- Year
- 2000
- Tongue
- English
- Weight
- 243 KB
- Volume
- 130
- Category
- Article
- ISSN
- 0424-7760
No coin nor oath required. For personal study only.
π SIMILAR VOLUMES
The paper investigates the thermoprecipitation of two macromolecule structures, poly(N-isopropylacrylamide) (poly-NIPA) and poly(N,N-diethylacrylamide) (poly-DEA) from aqueous solution. The majority of the data are collected for small (M w Ο½ 5000 g/mol) homogeneous (D Ο½ 1.3) molecules of the indicat
In the present work we show the first application of density functional Ε½ . theory DFT with gradient-corrected exchange-correction functionals within the linear Ε½ . combination of Gaussian-type orbitals LCGTO formalism to the calculation of isomer shifts and quadrupole couplings for a large and vari