Gaussian basis sets for nitrogen; Properties of NH3

Author:

Poirier Raymond A.,Kari Roy,Daudel Raymond,Csizmadia Imre G.

Publisher

Elsevier BV

Subject

Physical and Theoretical Chemistry,Condensed Matter Physics,Biochemistry

Reference29 articles.

1. R. A. Poirier, R. E. Kari and I. G. Csizmadia, A Compendium of Gaussian Basis Sets, in press.

2. Ab initio calculations on sulfur-containing compounds. I. Uniform quality basis sets for sulfur: Total energies and geometries of H2S

3. Ab initio calculations on sulfur-containing compounds. II. One-electron properties of H2S

4. MONSTERGAUSS: M. R. Peterson and R. A. Poirier, University of Toronto, Ontario, M5S 1A1, Canada. The program incorporates GAUSSIAN80 integral and SCF routines (ref. 5) and analytic energy gradients (ref. 6).

5. GAUSSIAN80: J. S. Binklies, R. A. Whiteside, R. Krishnan, R. Seeger, H. B. Schlegel, D. J. Defrees and J. A. Pople, Q.C.P.E. #406, Department of Chemistry, Indiana University, Bloomington, IN 47405, U.S.A.

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