Accurate ab initio gradient calculation of the structures and conformations of some boric and fluoroboric acids. Basis-set effects on angles around oxygen-Reference-Cited by-同舟云学术

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

Published:1981-07 Issue:4 Volume:76 Page:329-347
ISSN:0166-1280
Container-title:Journal of Molecular Structure: THEOCHEM
language:en
Short-container-title:Journal of Molecular Structure: THEOCHEM

Author:

Boggs James E.,Cordell Floyd R.

Publisher

Elsevier BV

Subject

Physical and Theoretical Chemistry,Condensed Matter Physics,Biochemistry

Reference27 articles.

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

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

3. Self‐Consistent Molecular‐Orbital Methods. IX. An Extended Gaussian‐Type Basis for Molecular‐Orbital Studies of Organic Molecules

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