Gaussian Basis SCF Calculations for OH−, H2O, NH3, and CH4
Extensive SCF LCAO MO calculations utilizing comparable Gaussian basis sets for OH−, H2O, NH3, and CH4 give SCF energies of −75.377, −76.034, −56.201, and −40.198 a.u., respecti...
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- University at Buffalo, State University of New York
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