Intermolecular Potentials and the Second Virial Coefficient
نویسندگان
چکیده
منابع مشابه
Theoretical study of intermolecular potential energy and second virial coefficient in the mixtures of CH4 and H2CO gases
To get a mole of a gas, it is necessary to calculate the intermolecular interaction. Theseintermolecular interactions can be depicted by drawing the potential energy of a pair molecule inrelation to the distance. The intermolecular potential energy surface in the mixtures of CH4-H2COgases from ab initio calculations has been explored. In ab initio calculations the basis setsuperposition error (...
متن کاملAb initio study of the second virial coefficient protein — protein on the basis of intermolecular potential energy surface
Intermolecular potential energy surface (IPS) for protein — protein has been examined using RHF, DFT-B3LYPand MP2 levels of theory with 6-31G, 6-31G* basis sets. A number of basis sets were used in order to evaluatethe basis set effects, at all three levels of theory, basis sets has significant effects on the calculated potentialenergy curves (including position, depth and width of the potentia...
متن کاملIntermolecular potential and second virial coefficient of the water-nitrogen complex.
The authors construct a rigid-body (five-dimensional) potential energy surface for the water-nitrogen complex using the systematic intermolecular potential extrapolation routine. The intermolecular potential is then extrapolated to the limit of a complete basis set. An analytic fit of this surface is obtained, and, using this, the global minimum energy is found. The minimum is located in an arr...
متن کاملHaldane exclusion statistics and second virial coefficient.
We show that Haldanes new definition of statistics, when generalised to infinite dimensional Hilbert spaces, is equal to the high temperature limit of the second virial coefficient. We thus show that this exclusion statistics parameter, g , of anyons is non-trivial and is completely determined by its exchange statistics parameter α. We also compute g for quasiparticles in the Luttinger model an...
متن کاملApplications of the second virial coefficient: protein crystallization and solubility
A number of citations in the article by Wilson & DeLucas [(2014). Acta Cryst. F70, 543-554] are corrected.
متن کاملذخیره در منابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
ژورنال
عنوان ژورنال: Journal of Chemical Education
سال: 2004
ISSN: 0021-9584,1938-1328
DOI: 10.1021/ed081p607.2