✦ LIBER ✦

A generalized Gay-Berne intermolecular potential for biaxial particles

✍ Scribed by R. Berardi; C. Fava; C. Zannoni

Publisher: Elsevier Science
Year: 1995
Tongue: English
Weight: 650 KB
Volume: 236
Category: Article
ISSN: 0009-2614
DOI: 10.1016/0009-2614(95)00212-m

No coin nor oath required. For personal study only.

✦ Synopsis

A biaxial version of the Gay-Berne potential used to model uniaxial anisotropic molecules is developed. This novel bi~xial potential can be used to deal with molecules with different attractive and repulsive contributions along their three axes.

📜 SIMILAR VOLUMES

Surface Charge Density/Surface Potential

Surface Charge Density/Surface Potential Relationship for a Spherical Colloidal Particle in a Solution of General Electrolytes

✍ Hiroyuki Ohshima 📂 Article 📅 1995 🏛 Elsevier Science 🌐 English ⚖ 102 KB

A generalized direct-particle-deletion s

A generalized direct-particle-deletion scheme for the calculation of chemical potential and solubilities of small- and medium-sized molecules in amorphous polymers

✍ Martin R. Siegert; Matthias Heuchel; Dieter Hofmann 📂 Article 📅 2007 🏛 John Wiley and Sons 🌐 English ⚖ 439 KB 👁 1 views

## Abstract The development, validation, and first applications of a generalized version of an inverse Widom method are described. It permits the calculation of solubility coefficients for molecules as large as, e.g., benzene in all polymers for which reasonable forcefield parameters exist. Predict