The minimal basis set MINI-1?powerful tool for calculating intermolecular interactions. II. Ionic complexes
- 1 January 1984
- journal article
- Published by Springer Nature in Theoretical Chemistry Accounts
- Vol. 65 (4) , 291-302
- https://doi.org/10.1007/bf00548254
Abstract
No abstract availableKeywords
This publication has 32 references indexed in Scilit:
- Minimal basis set MINI-1 ? powerful tool for calculating of molecular interactions. I. Neutral complexesTheoretical Chemistry Accounts, 1984
- Interaction of ethene, 2-methylpropene, and benzene with the sodium(1+) ion. 1. Quantum chemical study of gas-phase complexesThe Journal of Physical Chemistry, 1982
- A systematic preparation of new contracted Gaussian‐type orbital sets. VIII. MINI‐1 and MIDI‐1 sets for Ga through CdJournal of Computational Chemistry, 1982
- A systematic preparation of new contracted Gaussian‐type orbital sets. V. From Na through CaJournal of Computational Chemistry, 1981
- A systematic preparation of new contracted Gaussian‐type orbital sets. VI. Ab initio calculation on molecules containing Na through ClJournal of Computational Chemistry, 1981
- A systematic preparation of new contracted Gaussian‐type orbital sets. IV. The effect of additional 3s functions introduced by the use of the six‐membered 3dGTOsJournal of Computational Chemistry, 1981
- A systematic preparation of new contracted Gaussian‐type orbital sets. III. Second‐row atoms from Li through neJournal of Computational Chemistry, 1980
- A b i n i t i o calculations of the interaction of ions with neutral ligands. Pair potentials for Li+/ether–, Li+/thioether– and Li+/amide– systemsThe Journal of Chemical Physics, 1980
- A systematic preparation of new contracted Gaussian-type orbital basis sets. II. Test basis set for Cu2 molecule with and without splitting of the outer orbitalsThe Journal of Chemical Physics, 1980
- A systematic preparation of new contracted Gaussian type orbital set. I. Transition metal atoms from Sc to ZnThe Journal of Chemical Physics, 1979