Bond functions for ab initio calculations on polyatomic molecules. Molecules containing C, N, O and H-Reference-Cited by-同舟云学术

Bond functions for ab initio calculations on polyatomic molecules. Molecules containing C, N, O and H

Published:1981-02 Issue:1 Volume:78 Page:147-152
ISSN:0009-2614
Container-title:Chemical Physics Letters
language:en
Short-container-title:Chemical Physics Letters

Author:

Neisius Daniel,Verhaegen Georges

Publisher

Elsevier BV

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Reference9 articles.

1. Bond functions for AB initio calculations on polyatomic molecules hydrocarbons

2. Self—Consistent Molecular Orbital Methods. XII. Further Extensions of Gaussian—Type Basis Sets for Use in Molecular Orbital Studies of Organic Molecules

3. The effect of d-functions on molecular orbital energies for hydrocarbons

4. The influence of polarization functions on molecular orbital hydrogenation energies

5. J.S. Binkley, R.A. Whitehead, P.C. Hariharan, R. Seeger, W.J. Hehre, M.D. Newton and J.A. Pople, QCPE program number 368. Quantum Chemistry Program Exchange, Indiana University, Bloomington, Indiana.

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