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Parisel, O., Ellinger, Y., Giessner-Prettre, C. (1996) The electroaffinity of O2 by DFT and coupled MCSCF/peturbation approaches. A computational experiment. Chemical Physics Letters, 250. 178-186 doi:10.1016/0009-2614(96)00016-4

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Reference TypeJournal (article/letter/editorial)
TitleThe electroaffinity of O2 by DFT and coupled MCSCF/peturbation approaches. A computational experiment
JournalChemical Physics Letters
AuthorsParisel, O.Author
Ellinger, Y.Author
Giessner-Prettre, C.Author
Year1996 (February)Volume250
PublisherElsevier BV
DOIdoi:10.1016/0009-2614(96)00016-4Search in ResearchGate
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Mindat Ref. ID5893721Long-form Identifiermindat:1:5:5893721:3
GUID0
Full ReferenceParisel, O., Ellinger, Y., Giessner-Prettre, C. (1996) The electroaffinity of O2 by DFT and coupled MCSCF/peturbation approaches. A computational experiment. Chemical Physics Letters, 250. 178-186 doi:10.1016/0009-2614(96)00016-4
Plain TextParisel, O., Ellinger, Y., Giessner-Prettre, C. (1996) The electroaffinity of O2 by DFT and coupled MCSCF/peturbation approaches. A computational experiment. Chemical Physics Letters, 250. 178-186 doi:10.1016/0009-2614(96)00016-4
In(n.d.) Chemical Physics Letters Vol. 250. Elsevier BV

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Parisel, O, Ellinger, Y (1996) Second-order perturbation theory using correlated orbitals. II. A coupled MCSCF perturbation strategy for electronic spectra and its applications to ethylene, formaldehyde and vinylidene. Chemical Physics, 205. 323-349 doi:10.1016/0301-0104(95)00430-0
Ricca, A., Hanus, M., Ellinger, Y. (1995) Conformational dependence of electronic spectra in the nitroxide series: a MCSCF/CI study. Chemical Physics Letters, 232. 54-60 doi:10.1016/0009-2614(94)01317-o
Pullman, A., Giessner-Prettre, C., Kruglyak, Yu.V. (1975) Cation binding to “crown” ethers: An ab initio model study. Chemical Physics Letters, 35. 156-160 doi:10.1016/0009-2614(75)85305-x
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Matsui, R., Senba, K., Honma, K. (1996) Kinetics of depletion of Co(b 4F) and Co(a 2F) atoms by O2. Chemical Physics Letters, 250. 560-566 doi:10.1016/0009-2614(96)00035-8
Giessner-Prettre, C., Pullman, A. (1985) The nuclear magnetic shielding constants of formamide: the contribution of the non-tightly bound water molecules of the “first hydration shell”. Chemical Physics Letters, 114. 258-260 doi:10.1016/0009-2614(85)80908-8
Meissner, Leszek (1996) On multiple solutions of the Fock-space coupled-cluster method. Chemical Physics Letters, 255. 244-250 doi:10.1016/0009-2614(96)00400-9
Gresh, N., Parisel, O., Giessner-Prettre, C. (1998) Electronic distribution influence on molecular mechanics results. Journal of Molecular Structure: THEOCHEM, 458. 27-39 doi:10.1016/s0166-1280(98)00346-7
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Daul, C., Frioud, M., Schafer, O., Selloni, A. (1996) Non-empirical dynamical DFT calculation of the Berry pseudorotation of PF5. Chemical Physics Letters, 262. 74-79 doi:10.1016/0009-2614(96)01056-1
 
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