𝔖 Bobbio Scriptorium
✦   LIBER   ✦

An improved anharmonic force field for SF6 which includes FF nonbonded interactions

✍ Scribed by Isao Suzuki; John Overend


Book ID
108007065
Publisher
Elsevier Science
Year
1982
Tongue
English
Weight
320 KB
Volume
38
Category
Article
ISSN
1386-1425

No coin nor oath required. For personal study only.


📜 SIMILAR VOLUMES


An improved OPLS–AA force field for carb
✍ D. Kony; W. Damm; S. Stoll; W. F. Van Gunsteren 📂 Article 📅 2002 🏛 John Wiley and Sons 🌐 English ⚖ 287 KB

## Abstract This work describes an improved version of the original OPLS–all atom (OPLS–AA) force field for carbohydrates (Damm et al., J Comp Chem 1997, 18, 1955). The improvement is achieved by applying additional scaling factors for the electrostatic interactions between 1,5‐ and 1,6‐interaction

An improved nucleic acid parameter set f
✍ Thereza A. Soares; Philippe H. Hünenberger; Mika A. Kastenholz; Vincent Kräutler 📂 Article 📅 2005 🏛 John Wiley and Sons 🌐 English ⚖ 274 KB

## Abstract Over the past decades, the GROMOS force field for biomolecular simulation has primarily been developed for performing molecular dynamics (MD) simulations of polypeptides and, to a lesser extent, sugars. When applied to DNA, the 43A1 and 45A3 parameter sets of the years 1996 and 2001 pro

Fourier transform infrared spectroscopy
✍ L. Bizzocchi; C. Degli Esposti; A. Mazzavillani; F. Tamassia 📂 Article 📅 2003 🏛 Elsevier Science 🌐 English ⚖ 156 KB

The weak 2m 3 overtone band of the three isotopomers of cyanogen iodide, I 12 C 14 N, I 13 C 14 N, and I 12 C 15 N, has been recorded in the range from 4200 to 4400 cm À1 with a resolution of 0.02 cm À1 using a Fourier transform infrared spectrometer. The following band origins have been determined