Two approaches to the computational determination of molecular structure: the torsional angle in tolane and the effect of fluorination on the structure of oxirane-Reference-Cited by-同舟云学术

Two approaches to the computational determination of molecular structure: the torsional angle in tolane and the effect of fluorination on the structure of oxirane

Published:1989-10 Issue: Volume:200 Page:361-373
ISSN:0166-1280
Container-title:Journal of Molecular Structure: THEOCHEM
language:en
Short-container-title:Journal of Molecular Structure: THEOCHEM

Author:

Saebø Svein,Almlöf Jan,Boggs James E.,Stark Jeffrey G.

Publisher

Elsevier BV

Subject

Physical and Theoretical Chemistry,Condensed Matter Physics,Biochemistry

Reference23 articles.

1. Ab initiocalculation of force constants and equilibrium geometries in polyatomic molecules

2. Systematic ab initio gradient calculation of molecular geometries, force constants, and dipole moment derivatives

3. Accurate ab initio gradient calculation of the structures and conformations of some boric and fluoroboric acids. Basis-set effects on angles around oxygen

4. High-resolution infrared spectra of ethanelike molecules and the barrier to internal rotation: The ν9, ν13 band of dimethylacetylene

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