The role of d-orbitals in predicting accurate geometries Using ab initio molecular orbital methods
Author:
Publisher
Elsevier BV
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Reference30 articles.
1. Effects of outer-shell orbitals on the hartree-fock energies
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2. Resonance in amides. Comparison of ab initio and semiempirical methodologies in the description of acetamide;Journal of Molecular Structure: THEOCHEM;1997-08
3. Ab Initio Study of the Effect of Fluorination upon the Structure and Configurational Stability of α-Sulfonyl Carbanions: The Role of Negative Hyperconjugation;Journal of the American Chemical Society;1996-01-01
4. Theoretical studies on transannular sulfur.cntdot..cntdot..cntdot.sulfur interactions in geometrically constrained 1,5-dithiocane derivatives;Journal of the American Chemical Society;1991-02
5. Hypercoordinate molecules of second-row elements: d functions or d orbitals?;Journal of the American Chemical Society;1990-10
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