Automatic geometry optimization: study of the AIX3 and Al2X6 (X = F, Cl, Br, I) systems by the eht method and by the EHT method with electrostatic correction-Reference-Cited by-同舟云学术

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Automatic geometry optimization: study of the AIX3 and Al2X6 (X = F, Cl, Br, I) systems by the eht method and by the EHT method with electrostatic correction

Published:1983-01 Issue: Volume:92 Page:1-6
ISSN:0022-2860
Container-title:Journal of Molecular Structure
language:en
Short-container-title:Journal of Molecular Structure

Author:

Slanina Zdenêk,Beran Stanislav

Publisher

Elsevier BV

Subject

Inorganic Chemistry,Organic Chemistry,Spectroscopy,Analytical Chemistry

Reference22 articles.

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

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

3. Rapid geometry optimization for semi-empirical molecular orbital methods

4. Energy gradients in extended Hückel theory: Application to cyclopentane

5. Geometry optimization in ab initio molecular orbital theory

Cited by 2 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. Ab initio quantum mechanical vibrational analysis of the dimeric A2X6 molecules (A  Al, Ga; X  Cl, Br, I);Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy;1995-06

2. Chapter 3;Coordination Chemistry Reviews;1985-08

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