𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Effects of contraction and reduction of basis set size on the He2 interaction energy components

✍ Scribed by S. Roszak; W. A. Sokalski


Publisher
John Wiley and Sons
Year
1988
Tongue
English
Weight
370 KB
Volume
34
Category
Article
ISSN
0020-7608

No coin nor oath required. For personal study only.


πŸ“œ SIMILAR VOLUMES


The effect of basis set superposition er
✍ Masao Masamura πŸ“‚ Article πŸ“… 2004 πŸ› John Wiley and Sons 🌐 English βš– 96 KB

## Abstract The intermolecular interaction energies of the deprotonated hydrogen‐bonded complexes F^βˆ’^(HF), F^βˆ’^(H~2~O), F^βˆ’^(NH~3~), Cl^βˆ’^(HF), SH^βˆ’^(HF), H~2~P^βˆ’^(HF), OH^βˆ’^(H~2~O), OH^βˆ’^(H~2~O)~2~, OH^βˆ’^(NH~3~), Cl^βˆ’^(H~2~O), SH^βˆ’^(H~2~O), H~2~P^βˆ’^(H~2~O), Cl^βˆ’^(NH~3~), SH^βˆ’^(NH~3~), H~2~P^βˆ’^(NH

Effects of crystallite size on the kinet
✍ Syed Shatir A. Syed-Hassan; Chun-Zhu Li πŸ“‚ Article πŸ“… 2011 πŸ› John Wiley and Sons 🌐 English βš– 569 KB

## Abstract A kinetic investigation on the reduction of nanometer‐sized nickel oxide particles (supported and unsupported) with hydrogen was carried out. The reduction behavior was found to be related to the average size of NiO crystallites. When the NiO crystallite size was less than about 20 nm,

Effect of basis-set completeness on the
✍ Stephen Wilson; Martyn F. Guest πŸ“‚ Article πŸ“… 1980 πŸ› Elsevier Science 🌐 English βš– 468 KB

It is demonstrated, using the ground state of the water molecule, that the contribution of triply excited cotiIr;ttioas to electron correlation energies m closed-shell systems IS more sensitive to the degree of compteteness of the basis set than tfie component associated Hnth quadruply excited confi