𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Effects of the basis set superposition error on optimized geometries of trimer complexes (Part I)

✍ Scribed by Kim, Chang Kon; Won, Jongok; Kim, Chan Kyung

Book ID
122667078
Publisher
Elsevier Science
Year
2012
Tongue
English
Weight
360 KB
Volume
545
Category
Article
ISSN
0009-2614

No coin nor oath required. For personal study only.

πŸ“œ SIMILAR VOLUMES

The effect of basis set superposition er
The effect of basis set superposition error on the convergence of intermolecular interaction energies for deprotonated complexes
✍ 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

The effect of diffuse functions on minim
The effect of diffuse functions on minimal basis set superposition errors for H-bonded dimers
✍ Giuliano Alagona; Caterina Ghio πŸ“‚ Article πŸ“… 1990 πŸ› John Wiley and Sons 🌐 English βš– 1003 KB

## Abstract The effect of the addition of diffuse functions of __sp__ type on the first row atoms (and/or of __d__ type on phosphorus) to a MINI‐1 minimal basis set is evaluated by comparing the SCF description of the interaction energy and its decomposition, counterpoise (CP) corrected and uncorre