Ab initio molecular orbital calculations of effective exchange integrals between transition metal ions
- 1 January 1988
- journal article
- Published by Elsevier in Chemical Physics Letters
- Vol. 143 (4) , 371-376
- https://doi.org/10.1016/0009-2614(88)87049-0
Abstract
No abstract availableFunding Information
- Ministry of Education, Culture, Sports, Science and Technology
- Institute for Molecular Science
This publication has 17 references indexed in Scilit:
- MOLECULAR ORBITAL (MO) THEORY FOR MAGNETICALLY INTERACTING ORGANIC COMPOUNDS. AB-INITIO MO CALCULATIONS OF THE EFFECTIVE EXCHANGE INTEGRALS FOR CYCLOPHANE-TYPE CARBENE DIMERSChemistry Letters, 1986
- Binuclear oxygen carriers: hemerythrinAccounts of Chemical Research, 1984
- ESR of Mn2 and Mn5 molecules in rare-gas matricesa)The Journal of Chemical Physics, 1983
- Electronic structure calculations on active site models for 4-Fe,4-S iron-sulfur proteinsJournal of the American Chemical Society, 1982
- Ab initio direct calculation of the singlet-triplet separation in cupric acetate hydrate dimerJournal of the American Chemical Society, 1981
- Bridged and unbridged M2L10 complexesJournal of the American Chemical Society, 1980
- Synthetic approaches to the active sites of iron-sulfur proteinsAccounts of Chemical Research, 1977
- Heisenberg models of radical reactions: Local spin (magnetic) symmetry conservations of biradical speciesChemical Physics, 1977
- Interrelationships between the effective for the H3 radicalChemical Physics Letters, 1977
- Mechanistic characterization of the thermal ring-opening of three-membered cyclic compoundsChemical Physics Letters, 1973