Self‐consistent molecular orbital methods. XXIII. A polarization‐type basis set for second‐row elements
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Mark S. Gordon | Michelle Francl | Warren J. Hehre | J. Stephen Binkley | John A. Pople | M. Gordon | J. Pople | W. Hehre | J. Binkley | D. Defrees | M. Francl | Douglas J. DeFrees | W. Pietro | William J. Pietro | DeFrees | J. Douglas
[1] A. D. McLean,et al. Contracted Gaussian basis sets for molecular calculations. I. Second row atoms, Z=11–18 , 1980 .
[2] Steven K. Pollack,et al. Effect of electron correlation on theoretical equilibrium geometries , 1979 .
[3] J. B. Collins,et al. Self‐consistent molecular orbital methods. XVII. Geometries and binding energies of second‐row molecules. A comparison of three basis sets , 1976 .
[4] Mark S. Gordon,et al. The isomers of silacyclopropane , 1980 .
[5] H. Schaefer. Methods of Electronic Structure Theory , 1977 .
[6] S. Huzinaga,et al. A systematic preparation of new contracted Gaussian‐type orbital sets. VI. Ab initio calculation on molecules containing Na through Cl , 1981 .
[7] J. Pople,et al. Self‐Consistent Molecular Orbital Methods. IV. Use of Gaussian Expansions of Slater‐Type Orbitals. Extension to Second‐Row Molecules , 1970 .
[8] R. Nesbet. Electronic Structure of N2, CO, and BF , 1964 .
[9] N. Carlsen. Economical geometry optimization in first row molecules with bond function augmented basis sets , 1977 .
[10] J. Montgomery,et al. The equilibrium structure and rotational constant of HCC , 1979 .
[11] P. C. Hariharan,et al. The influence of polarization functions on molecular orbital hydrogenation energies , 1973 .
[12] J. Pople,et al. Self‐Consistent Molecular‐Orbital Methods. IX. An Extended Gaussian‐Type Basis for Molecular‐Orbital Studies of Organic Molecules , 1971 .