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Calculation of physisorption potentials in the electron gas approximation

✍ Scribed by Ihm, G.; Cole, Milton W.


Book ID
126980868
Publisher
American Chemical Society
Year
1989
Tongue
English
Weight
958 KB
Volume
5
Category
Article
ISSN
0743-7463

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Calculation of molecule-molecule intermo
✍ Gregory A. Parker; Richard L. Snow; Russell T. Pack πŸ“‚ Article πŸ“… 1975 πŸ› Elsevier Science 🌐 English βš– 403 KB

A procedure for extending electron gas calculations to rtlo!ecuie-r?lolecuIc interactions is presented which nllo~~s rapid determination of the dependence of intermolecular potentials on all vibration and rotiition coordinates. Results for HP-W aglee well with accurate SCF calculations.