On the use of pseudopotentials in molecular calculations
- 1 January 1978
- journal article
- Published by Springer Nature in Theoretical Chemistry Accounts
- Vol. 49 (4), 283-294
- https://doi.org/10.1007/bf00552480
Abstract
No abstract availableKeywords
This publication has 21 references indexed in Scilit:
- An ab-initio SCF study of the binding of Li+ to basesChemical Physics Letters, 1977
- Cation binding to biomoleculesTheoretical Chemistry Accounts, 1977
- Binding of dioxygen to metal complexes. The oxygen adduct of Co(acacen)Journal of the American Chemical Society, 1976
- Cation-ligand interactions: Ab Initio SCF studies of the binding properties of alkali, alkaline-earth, and ammonium ionsInternational Journal of Quantum Chemistry, 1976
- Ab initioeffective potentials for use in molecular quantum mechanicsPhysical Review A, 1974
- SCF AB initio study of the protonation of the peptide bondChemical Physics Letters, 1973
- Use of Ab Initio G1 Effective Potentials for Calculations of Molecular Excited StatesThe Journal of Chemical Physics, 1972
- A non-empirical study of hydrogen bonding in the dimer of formamideTheoretical Chemistry Accounts, 1970
- Study of the electronic structure of molecules. XActa Physica Academiae Scientiarum Hungaricae, 1969
- Study of the Electronic Structure of Molecules. I. Molecular Wavefunctions and Their AnalysisThe Journal of Chemical Physics, 1967