An intermolecular potential function for the Fe(II)–H2O system from ab initio calculations
- 1 November 1986
- journal article
- research article
- Published by Wiley in International Journal of Quantum Chemistry
- Vol. 30 (5) , 663-670
- https://doi.org/10.1002/qua.560300509
Abstract
No abstract availableKeywords
This publication has 16 references indexed in Scilit:
- Interaction potentials for the halide ion-rare gas systemsChemical Physics, 1985
- Comparison of simple potential functions for simulating liquid waterThe Journal of Chemical Physics, 1983
- Revised TIPS for simulations of liquid water and aqueous solutionsThe Journal of Chemical Physics, 1982
- Intermolecular potentials for ammonia based on SCF–MO calculationsThe Journal of Chemical Physics, 1981
- A systematic preparation of new contracted Gaussian‐type orbital sets. III. Second‐row atoms from Li through neJournal of Computational Chemistry, 1980
- Monte Carlo simulations of water clusters around Zn++ and a linear Zn++⋅CO2 complexThe 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
- Possible improvements of the interaction energy calculated using minimal basis setsTheoretical Chemistry Accounts, 1979
- CI study of the water dimer potential surfaceThe Journal of Chemical Physics, 1976
- Improved simulation of liquid water by molecular dynamicsThe Journal of Chemical Physics, 1974