A CASPT2 calculation of the lowest excited states of H2Fe(CO)4

Chemical Physics Letters

Volumn 246, Issue 4-5, 1995, Pages 488-494

  Heitz, Marie Catherine ^a   Daniel, Chantal ^a  

^a UNIVERSITÉ DE STRASBOURG   (France)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0000309598     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/0009-2614(95)01140-7     Document Type: Article

References (35)

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3. Characterization of the first examples of isolable molecular hydrogen complexes, M(CO)3(PR3)2(H2) (M = molybdenum or tungsten; R = Cy or isopropyl). Evidence for a side-on bonded dihydrogen ligand
4. Dihydrogen complexes: some structural and chemical studies
5. Photochemistry of carbonyl(�5-cyclopentadienyl)dihydridoiridium in frozen gas matrices at ca. 12 K: infrared evidence relating to C?H activation
6. A.J. Rest, unpublished work referenced by J. Evans and J.R. Norton [18]; R.L. Sweany, private communication.
7. Dynamics of photochemical reactions: Simulation by quantum calculations for transition metal hydrides
8. General contraction of Gaussian basis sets. I. Atomic natural orbitals for first- and second-row atoms
9. Multiconfigurational second-order perturbation theory: A test of geometries and binding energies