𝔖 Bobbio Scriptorium
✦   LIBER   ✦

The study of interaction of disubstituted benzenes and water by using Monte Carlo simulations

✍ Scribed by Mohsen Taffazoli; Safeallah Jalili


Publisher
Elsevier Science
Year
2000
Tongue
English
Weight
498 KB
Volume
89
Category
Article
ISSN
0167-7322

No coin nor oath required. For personal study only.


πŸ“œ SIMILAR VOLUMES


NMR and Monte Carlo Simulation Studies o
✍ S.K.K. Lam; H. Peemoeller; Z.Y. Chen πŸ“‚ Article πŸ“… 2002 πŸ› Elsevier Science 🌐 English βš– 112 KB

Nuclear magnetic resonance water proton spin-spin relaxation time T(2) was measured in wood samples with moisture contents ranging from 0.50 to 26.4%. The experimental results are discussed in terms of Monte Carlo simulations, which determine the correlation times tau for reorientation of the water

Monte Carlo simulations of the hydration
✍ William L. Jorgensen; Toan B. Nguyen πŸ“‚ Article πŸ“… 1993 πŸ› John Wiley and Sons 🌐 English βš– 966 KB

Intermolecular potential functions have been developed for use in computer simulations of substituted benzenes. Previously reported optimized potentials for liquid simulations (OPLS) for benzene and organic functional groups were merged and tested by computing free energies of hydration for toluene,

Monte Carlo simulations for the study of
✍ R. S. Chen πŸ“‚ Article πŸ“… 1989 πŸ› John Wiley and Sons 🌐 English βš– 487 KB

Monte Carlo simulations have been performed to study the conformations of the pentapeptide fragments of normal adult (Thr-Pro-Glu-Glu-Lys) and sickle-like anemia hemoglobin (Thr-Pro-Val-Glu-Lys). The results show that the energy optimized conformation of normal adult hemoglobin-fragment agrees with

Monte Carlo Simulation Studies of the Si
✍ Gerhard Zifferer; Werner Preusser πŸ“‚ Article πŸ“… 2001 πŸ› John Wiley and Sons 🌐 English βš– 184 KB πŸ‘ 2 views

His main research interests are focussed on two areas, the investigation of theoretical aspects of the kinetics of polymerization processes by analytic and numeric methods, as well as

Monte Carlo simulations of water cluster
✍ Elena V. Akhmatskaya; Matthew D. Cooper; Neil A. Burton; Andrew J. Masters; Ian πŸ“‚ Article πŸ“… 1999 πŸ› John Wiley and Sons 🌐 English βš– 269 KB πŸ‘ 3 views

We performed a simulation of a cluster of five water molecules at 300 K using an ab initio potential. In our first study, the interactions were calculated at the U Ž . Hartree᎐Fock level using a 6-31G basis set. A parallel big move hybrid Monte Carlo algorithm was used to conduct this modeling. We c

Monte Carlo Simulations of the Electron
✍ D. Trunec; M. HolΓ­k; P. Kudrna; O. Bilyk; A. Marek; R. Hippler; M. TichΓ½ πŸ“‚ Article πŸ“… 2004 πŸ› John Wiley and Sons 🌐 English βš– 264 KB

## Abstract We have carried out Monte Carlo simulation of the motion of electrons in the space charge sheath surrounding a cylindrical Langmuir (electrostatic) probe. The electron currents to the probe have been calculated from these simulations for different conditions (pressure of neutral gas, pr