✦ LIBER ✦

The present status of intermolecular potentials for calculations of transport properties

✍ Scribed by R.A. Buckingham

Publisher: Elsevier Science
Year: 1961
Tongue: English
Weight: 982 KB
Volume: 3
Category: Article
ISSN: 0032-0633
DOI: 10.1016/0032-0633(61)90247-1

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Present status of information on transpo

Present status of information on transport properties applicable to combustion research

✍ A.A. Westenberg 📂 Article 📅 1957 🏛 Elsevier Science 🌐 English ⚖ 805 KB

A survey is presented o] the available experimental and theoretical information on molecular diffusion and thermal conductivity coe.~qcients likely to be o[ interest in low speed combustion studies. Emphasis is placed on high temperature data and practical methods of calculation. Reliability of pres

Present Status of the Theory of Surface

Present Status of the Theory of Surface Optical Properties

✍ Del Sole, R. 📂 Article 📅 1998 🏛 John Wiley and Sons 🌐 English ⚖ 137 KB 👁 2 views

Calculation of the intermolecular disper

Calculation of the intermolecular dispersion potential for NH3-He couples

✍ J. Bonamy; D. Robert 📂 Article 📅 1970 🏛 Elsevier Science 🌐 English ⚖ 448 KB

An ezpression for the dispersion potential. describing the interaction between NH3 and He mafecuhs is derived and an explicit calculztion of the molecular constants is performed. A comparison between ffie different contributions appearing in the intermolecular potential shows that the term in R-7 of

Calculations of the intermolecular poten

Calculations of the intermolecular potential and surface energies of stearic acid

✍ Wolfgang Beckmann; Roland Boistelle 📂 Article 📅 1984 🏛 Elsevier Science 🌐 English ⚖ 525 KB

The use of stratified importance samplin

The use of stratified importance sampling for calculating transport properties

✍ Gert D. Billing; Lichang Wang 📂 Article 📅 1992 🏛 Elsevier Science 🌐 English ⚖ 345 KB

We have tested a new method of obtaining a drastic reduction in the number of classical trajectories to be used when computing transport properties in gases. Thus, it is demonstrated that a good importance-sampling function is p(U) =AU'. By using this sampling function, one can drastically reduce th

Intermolecular potential of the acetonit

Intermolecular potential of the acetonitrile dimer obtained from ab initio calculations

✍ Cianfranco La Manna 📂 Article 📅 1983 🏛 Elsevier Science 🌐 English ⚖ 330 KB

SCF MO LCAO ab tnttio computations were carried out for 165 contigurattons of the acetomtrde dimer and the cd-c&ted interaction cnergtcs were fitted by an analyttcal potcnttal consisting of a 6-12 Lcnnard-Jones term plus a coulombic term. The configurations correspondtng to the energy mtntma fit quo