Automatic geometry optimization for molecules withd orbitals. III. TheEHT method with electrostatic corrections
Author:
Publisher
Wiley
Subject
Physical and Theoretical Chemistry,Condensed Matter Physics,Atomic and Molecular Physics, and Optics
Reference28 articles.
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1. Semiempirical Quantum-Chemical Studies of Catalysts with Transition Metals: EHT and Related Approaches;Quantum Chemistry Approaches to Chemisorption and Heterogeneous Catalysis;1992
2. Automatic geometry optimization: Study of the AlX3 and Al2X6 (X F, Cl, Br, I) systems by the EHT method and by the EHT method with electrostatic correction;Journal of Molecular Structure: THEOCHEM;1983-03
3. Quantum chemical and statistical-thermodynamic studies of equilibria and rates;Pure and Applied Chemistry;1983-01-01
4. 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;Journal of Molecular Structure;1983-01
5. CNDO/2 calculations of cluster models of zeolite crystals including their electrostatic field and its effect on the interacting molecules;Chemical Physics Letters;1982-09
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