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Theoretical study of some Van der Waals molecules
Author(s) -
Kołos W.,
Corongiu G.,
Clementi E.
Publication year - 1980
Publication title -
international journal of quantum chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.484
H-Index - 105
eISSN - 1097-461X
pISSN - 0020-7608
DOI - 10.1002/qua.560170417
Subject(s) - van der waals force , van der waals strain , van der waals surface , london dispersion force , van der waals radius , hamaker constant , molecule , chemistry , superposition principle , theorem of corresponding states , basis set , van der waals molecule , dispersion (optics) , computational chemistry , atomic physics , physics , quantum mechanics , organic chemistry
The Van der Waals molecules Ar · HF, Ar · H 2 O, and Ar · HCl have been analyzed with potential surfaces obtained by SCF energies corrected for the basis set superposition error and by including dispersion forces. The computed properties for these Van der Waals molecules are in good agreement with recent experimental observations.