The dependencies of Ka line shifts of the P and S atoms on effective charges of the atoms, calculated by CNDO/S, CNDOIZ, INDO, and MNDO methods in the minimal and extended basis sets, have been investigated for model compounds. Good linear relationships between Ka shifts and atomic charges have been
β¦ LIBER β¦
Effective charges of the valence shells on atoms of A15 chemical compounds
β Scribed by B.N. Kodess; I.A. Massalimov
- Publisher
- Elsevier Science
- Year
- 1983
- Tongue
- English
- Weight
- 229 KB
- Volume
- 47
- Category
- Article
- ISSN
- 0038-1098
No coin nor oath required. For personal study only.
π SIMILAR VOLUMES
X-Ray determination of the effective cha
β
G. N. Dolenko; A. L. Litvin; V. P. Elin
π
Article
π
1992
π
John Wiley and Sons
π
English
β 681 KB
X-Ray spectral determination of the effe
β
G. N. Dolenko; Z. Latajka; H. Ratajczak
π
Article
π
1995
π
John Wiley and Sons
π
English
β 334 KB
Linear dependence between the experimental K, line shifts and Mulliken atomic charges obtained by SCF ab initio calculations with 4-31G, 4-31G, and 4-31G" basis sets for the E S, and Cl atoms have been found. The electron density redistribution of PCl, and SPCZ, free ligands o n their complexation
The dependence of the atomic core potent
β
Yu.N. Kucherenko; A.Ya. Yaresko; G. Cubiotti; P. Weightman; R.J. Cole
π
Article
π
1995
π
Elsevier Science
π
English
β 277 KB
On the kinetics of atomic ordering in A1
β
D.O. Welch; R. FlΓΌkiger
π
Article
π
1985
π
Elsevier Science
β 87 KB
Dependence of Tcc on the cooling conditi
β
Yoshitake Nishi; Shigeki Tokunaga; Hidehiko Harano; Akihito Hara; Yuuich Tachiya
π
Article
π
1988
π
Elsevier Science
β 285 KB
A note on the projectile charge dependen
β
P.A. Amundsen
π
Article
π
1975
π
Elsevier Science
π
English
β 105 KB