𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Ab initio calculation of the equilibrium structure, quadrupole coupling and second moments for methyl nitrate and nitric acid

✍ Scribed by Michael H. Palmer


Book ID
107803229
Publisher
Elsevier Science
Year
1990
Tongue
English
Weight
792 KB
Volume
239
Category
Article
ISSN
0022-2860

No coin nor oath required. For personal study only.


πŸ“œ SIMILAR VOLUMES


Use of molecular dynamics simulations wi
✍ Rolf Eggenberger; Stefan Gerber; Hanspeter Huber; Debra Searles; Marc Welker πŸ“‚ Article πŸ“… 1993 πŸ› John Wiley and Sons 🌐 English βš– 757 KB

The deuterium quadrupole coupling constant and asymmetry parameter in heavy water were determined using ab initio SCF calculations. Snapshots from a molecular dynamics simulation were used to give liquid water cluster configurations and the influence of simulation parameters on the quadrupole coupli