𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Interatomic potentials of the Hg-Kr Van der Waals molecule

✍ Scribed by T. Grycuk; E. Czerwosz

Publisher
Elsevier Science
Year
1981
Weight
792 KB
Volume
106
Category
Article
ISSN
0378-4363

No coin nor oath required. For personal study only.

πŸ“œ SIMILAR VOLUMES

Ab initio calculations of intermolecular
Ab initio calculations of intermolecular potentials. The ground state of the ArH2 van der Waals molecule
✍ F. J. Olivares Del Valle; S. Tolosa; A. Lopez PiΓ±eiro; A. Requena πŸ“‚ Article πŸ“… 1985 πŸ› John Wiley and Sons 🌐 English βš– 492 KB

Hartree-Fock computations of the potential surface of Ar-H, have been carried out and supplemented with calculations of the dispersion energy, with use of the counterpoise method to remove the basis set superposition error. The collinear and perpendicular bisector geometries are considered. The resu

Determination of vibrational level spaci
Determination of vibrational level spacings of van der waals molecules from the Lennard-Jones potential
✍ Hyung Kyu Shin πŸ“‚ Article πŸ“… 1977 πŸ› Elsevier Science 🌐 English βš– 518 KB

An approximate cxprcssion for the eigenvalucs for van dcr Waals molecules by USC of the Lennard-Jones (I 2-6) potcntial in the WKB approximation is presented. The expression is applied to the rare. pas molecules Arz, Kr2, and XQ by fitting the potential function to the observed potential parameters.

Prediction of physicochemical properties
Prediction of physicochemical properties of organic molecules using van der Waals surface electrostatic potentials
✍ Chan Kyung Kim; Kyung A Lee; Kwan Hoon Hyun; Heung Jin Park; In Young Kwack; Cha πŸ“‚ Article πŸ“… 2004 πŸ› John Wiley and Sons 🌐 English βš– 93 KB

## Abstract The generalized interaction properties function (GIPF) methodology developed by Politzer and coworkers, which calculated molecular surface electrostatic potential (MSESP) on a density envelope surface, was modified by calculating the MSESP on a much simpler van der Waals (vdW) surface o