The Journal of Chemical Physics

Paper

01 Jan 1982

Relativistic effects on R_e and D_e in AgH and AuH from all-electron Dirac-Hartree-Fock calculations

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Abstract

No abstract available.

Paper

Basis set selections for relativistic self‐consistent field calculations

Yoon Sup Lee, Kyoung Koo Baeck, et al.

Journal of Computational Chemistry

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A theoretical investigation of atmospheric sulfur chemistry. 1. The HSO/HOS energy separation and the heat of formation of HSO, HOS, and HS₂

Brian T. Luke, A.D. McLean

Journal of Physical Chemistry

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Ab Initio SCF Studies of Interactions of Li⁺, Na⁺, Be²⁺, and Mg²⁺ with H₂PO₄⁻: Model for Cation Binding to Nucleic Acids

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JACS

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Second row homopolar diatomic molecules. Potential curves, spectroscopic constants, and dissociation energies at the basis set limit for SCF and limited CI wave functions

A.D. McLean, B. Liu, et al.

The Journal of Chemical Physics

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