Results 111 to 120 of about 7,446,249 (178)

Effect of heterogeneity on the second virial coefficient

, 1961
The values of the second virial coefficient A2, were determined by a light-scattering method for polymethyl methacrylate mixed fractions in methyl ethyl ketone and ethyl acetate systems.
Rao, V. S. R., Varadaiah, V. V.
core   +1 more source

A general approximation method for accurate evaluation of the intermolecular potential parameters by using density functional theory

Kuwait Journal of Science
In this work, a new approach is developed and presented for determining the intermolecular potential parameters from intermolecular interaction energy data obtained using the Density Functional Theory (DFT) method over a different basis set. The proposed
Bahtiyar Akber Mamedov, Elif Somuncu, Ebru Karatas   +2 more
doaj   +1 more source

Calculation of the second virial coefficient of nonspherical molecules: Revisited

, 2001
-An accurate Hartree-Fock dispersion individually damped (HFD-ID) potential type improved by Boyes for argon has been used as a core potential to calculate both the spherical and nonspherical contributions to the second virial coefficient of simple ...
Farkhondeh Mozaffari, Ali Boushehri, Hossein Eslami   +2 more
core  

Measurement of the temperature variation of virial coefficients. I. Application to the second virial coefficient of n-butane

, 1964
An unconventional apparatus, described in detail, determines, through a measured small volume increment, the temperature dependence of the second virial coefficient of a vapour without the necessity for isothermal expansion.
GA Bottomley, TH Spurling
core   +1 more source

Applications of the second virial coefficient: protein crystallization and solubility. Corrigendum. [PDF]

Acta Crystallogr F Struct Biol Commun, 2016
Wilson WW, DeLucas LJ.
europepmc   +1 more source

The effect of anisotropy on the second virial coefficient of H-2

, 2000
We have calculated the second virial coefficient B(T),B(T), including quantum corrections, from a pair potential for hydrogen recently developed from ab initio calculations.
AH Harvey (14860966), MP Hodges (14860957)   +1 more
core  

Applications of the second virial coefficient: protein crystallization and solubility. [PDF]

Acta Crystallogr F Struct Biol Commun, 2014
Wilson WW, Delucas LJ.
europepmc   +1 more source

On the osmotic second virial coefficient of athermal polymer solutions

, 1974
The osmotic second virial coefficient A2(n) of athermal polymer solutions is discussed for a simple lattice model, each molecule (n - mer) corresponding to a self-avoiding walk of n - 1 steps on a simple cubic lattice.
Janssens, Marcel, Bellemans, André
core  

Exploring HCl-HCl interactions: QZVPP calculations, improved Lennard-Jones potential, and second virial coefficient analysis for thermodynamics and industrial applications. [PDF]

RSC Adv
Gill WA, Aziz MT, Darwish HW, Janjua MRSA.   +3 more
europepmc   +1 more source

A stable tensorial approach for inversion of adsorption potential energy from isotherm data. [PDF]

J Mol Model
Oliveira Alves M, Silva Carvalho F, Braga JP.   +2 more
europepmc   +1 more source