## Abstract We report a systematic comparison of the dispersion and repulsion contributions to the free energy of solvation determined using quantum mechanical selfβconsistent reaction field (QMβSCRF) and classical methods. In particular, QMβSCRF computations have been performed using the dispersio
β¦ LIBER β¦
Theoretical estimation of overlapping repulsive energies, polarizabilities, and lattice energy in WO3
β Scribed by E. Iguchi; H. Sugimoto; A. Tamenori; H. Miyagi
- Publisher
- Elsevier Science
- Year
- 1991
- Tongue
- English
- Weight
- 795 KB
- Volume
- 91
- Category
- Article
- ISSN
- 0022-4596
No coin nor oath required. For personal study only.
π SIMILAR VOLUMES
Dispersion and repulsion contributions t
β
Carles Curutchet; Modesto Orozco; F. Javier Luque; Benedetta Mennucci; Jacopo To
π
Article
π
2006
π
John Wiley and Sons
π
English
β 262 KB
π 1 views
Order transfer between zeeman and torsio
β
I.G. Cameron; D.W. Nicoll; M.M. Pintar
π
Article
π
1980
π
Elsevier Science
π
English
β 355 KB
ESTIMATION OF 3D FIELD QUANTITIES AND EN
β
S. WIDEHAMMAR
π
Article
π
2003
π
Elsevier Science
π
English
β 296 KB
A method to estimate dispersion relations and warping associated with elastic wave propagation in a bar is presented. The method is based on Hamilton's principle. It is shown how the theoretical model together with strain measurements can be used to evaluate three dimensional (3D) field quantities l
Differential estimation of low energy be
β
M.F. Barakat; Magda Abdel-Ghany
π
Article
π
1970
π
Elsevier Science
π
English
β 398 KB
First-principles calculations of paramet
β
M.G. Brik; N.M. Avram
π
Article
π
2007
π
Elsevier Science
π
English
β 616 KB
Experimental and theoretical study of th
β
J. SchΓ€fer; R. Schoppe; J. HΓΆlzl; R. Feder
π
Article
π
1981
π
Elsevier Science
β 50 KB