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Ground-state calculations hydrogen molecules

Due to the superior performance of the H-73 basis set in the Cl calculations of structures and energies for the excited states of hydrogen molecule, it was used in the subsequent studies of H2 enclosed in a cylindrical harmonic potential. The PECs of the ground and eight low-lying excited states of H2 encapsulated... [Pg.65]

Calculations for CHON Species. Journal of the American Chemical Society 97 1302-1306. i iiigliam R C, M J S Dewar and D H Lo 1975d. Ground States of Molecules. XXVIII. MINDO/3. -alculahons for Compounds Containing Carbon, Hydrogen, Fluorine and Chlorine. Journal of the -American Chemical Society 97 1307-1310. [Pg.125]

See other pages where Ground-state calculations hydrogen molecules is mentioned: [Pg.64]    [Pg.100]    [Pg.61]    [Pg.63]    [Pg.75]    [Pg.131]    [Pg.141]    [Pg.759]    [Pg.70]    [Pg.262]    [Pg.503]    [Pg.2647]    [Pg.28]    [Pg.176]    [Pg.578]    [Pg.71]    [Pg.126]    [Pg.131]    [Pg.48]    [Pg.82]    [Pg.168]    [Pg.151]    [Pg.246]    [Pg.133]    [Pg.451]    [Pg.141]    [Pg.142]    [Pg.70]    [Pg.101]    [Pg.104]    [Pg.85]    [Pg.379]    [Pg.9]    [Pg.42]    [Pg.686]    [Pg.56]    [Pg.182]    [Pg.295]    [Pg.126]    [Pg.310]    [Pg.253]    [Pg.122]    [Pg.32]    [Pg.28]    [Pg.142]    [Pg.60]   
See also in sourсe #XX -- [ Pg.419 , Pg.420 ]



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