The use of internal coordinates in the variable metric method of molecular geometry optimization
- 1 August 1980
- journal article
- Published by Elsevier in Journal of Molecular Structure
- Vol. 65, 163-168
- https://doi.org/10.1016/0022-2860(80)85188-x
Abstract
No abstract availableKeywords
This publication has 14 references indexed in Scilit:
- An efficient ab initio gradient programTheoretical Chemistry Accounts, 1979
- Calculation of force constants by semiempirical quantum chemical methodJournal of Molecular Structure, 1978
- Ab initio computation of force constants: Part VI. Applications of the force relaxation method for geometry optimizationJournal of Molecular Structure, 1978
- Ground states of molecules. 36. The cyclobutadiene problem and MINDO/3 calculations of molecular vibration frequenciesJournal of the American Chemical Society, 1977
- Calculation of optimum geometries and force fields by the CNDO/force methodTheoretical Chemistry Accounts, 1976
- Ground states of molecules. XXV. MINDO/3. Improved version of the MINDO semiempirical SCF-MO methodJournal of the American Chemical Society, 1975
- Semiempirical calculation of harmonic force constants: CNDO/2 and MINDO/2 study of C2H6, C2H4 and C2H2Theoretical Chemistry Accounts, 1975
- Calculation of molecular geometries and force constants from CNDO wavefunctions by the force methodMolecular Physics, 1973
- Rapid geometry optimization for semi-empirical molecular orbital methodsChemical Physics Letters, 1971
- Ab initiocalculation of force constants and equilibrium geometries in polyatomic moleculesMolecular Physics, 1969