Towards the accurate computation of properties of transition metal compounds: the binding energy of ferrocene
- 22 November 1996
- journal article
- research article
- Published by Elsevier in Chemical Physics Letters
- Vol. 262 (5) , 546-552
- https://doi.org/10.1016/s0009-2614(96)01129-3
Abstract
No abstract availableThis publication has 24 references indexed in Scilit:
- The molecular structure of ferroceneThe Journal of Chemical Physics, 1996
- The integral-direct coupled cluster singles and doubles modelThe Journal of Chemical Physics, 1996
- Theoretical study of the vibrational spectra of the transition metal carbonyls M(CO)6 [M=Cr, Mo, W], M(CO)5 [M=Fe, Ru, Os], and M(CO)4 [M=Ni, Pd, Pt]The Journal of Chemical Physics, 1995
- Theoretical Study of the Chemical Bonding in [Ni(C2H4)] and FerroceneThe Journal of Physical Chemistry, 1995
- A direct atomic orbital driven implementation of the coupled cluster singles and doubles (CCSD) modelChemical Physics Letters, 1994
- Second-order perturbation theory with a complete active space self-consistent field reference functionThe Journal of Chemical Physics, 1992
- Wave functions with terms linear in the interelectronic coordinates to take care of the correlation cusp. I. General theoryThe Journal of Chemical Physics, 1991
- An ab initio study of Fe(CO)n, n=1,5, and Cr(CO)6The Journal of Chemical Physics, 1991
- Second-order perturbation theory with a CASSCF reference functionThe Journal of Physical Chemistry, 1990
- Møller-plesset calculations taking care of the correlation CUSPChemical Physics Letters, 1987