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Rohmer, M.-M. (1985) Electronic ground state of iron(II)porphyrin. Ab initio SCF and CI calculations and computed electron deformation densities. Chemical Physics Letters, 118. 110pp. doi:10.1016/0009-2614(85)85278-7

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Reference TypeJournal (article/letter/editorial)
TitleElectronic ground state of iron(II)porphyrin. Ab initio SCF and CI calculations and computed electron deformation densities
JournalChemical Physics Letters
AuthorsRohmer, M.-M.Author
Year1985 (July)Volume118
PublisherElsevier BV
DOIdoi:10.1016/0009-2614(85)85278-7Search in ResearchGate
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Mindat Ref. ID5879427Long-form Identifiermindat:1:5:5879427:4
GUID0
Full ReferenceRohmer, M.-M. (1985) Electronic ground state of iron(II)porphyrin. Ab initio SCF and CI calculations and computed electron deformation densities. Chemical Physics Letters, 118. 110pp. doi:10.1016/0009-2614(85)85278-7
Plain TextRohmer, M.-M. (1985) Electronic ground state of iron(II)porphyrin. Ab initio SCF and CI calculations and computed electron deformation densities. Chemical Physics Letters, 118. 110pp. doi:10.1016/0009-2614(85)85278-7
In(n.d.) Chemical Physics Letters Vol. 118. Elsevier BV

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Rohmer, Marie-Madeleine (1985) Electronic ground state of iron(II)porphyrin. Ab initio SCF and CI calculations and computed electron deformation densities. Chemical Physics Letters, 116. 44-49 doi:10.1016/0009-2614(85)80122-6
Johansen, Helge, Tanaka, Kiyoshi (1985) Ab initio RHF, CI, and MC SCF calculations on the vanadyl ion. Chemical Physics Letters, 116. 155-159 doi:10.1016/0009-2614(85)80145-7
Sannigrahi, A.B., Peyerimhoff, S.D. (1985) Ab initio SCF and CI study of the electronic structure of chlorine difluoride cation and anion. Chemical Physics Letters, 119. 119-122 doi:10.1016/0009-2614(85)80044-0
Ekkehard Kammer, Wolf (1970) AB initio SCF and CI calculations of linear and bent acetylene. Chemical Physics Letters, 6. 529-532 doi:10.1016/0009-2614(70)85213-7
Sannigrahi, A.B., Peyerimhoff, Sigrid D. (1985) Ab initio SCF and CI study of the electronic structure and spectrum of the chlorine difluoride radical. Chemical Physics Letters, 114. 6-9 doi:10.1016/0009-2614(85)85043-0
Ermler, Walter C., Huang, Chen-Wen (1985) Numerical MC SCF and CI calculations of the ground-state potential energy curve of N2. Chemical Physics Letters, 120. 159-162 doi:10.1016/0009-2614(85)87032-9
Fehér, M., Martin, P.A. (1993) Ab initio calculations of the properties of NO + in its ground electronic state X 1 Σ +. Chemical Physics Letters, 215. 565-570 doi:10.1016/0009-2614(93)89356-m
Császár, Pál, Kosmus, Walter, Panchenko, Yurii N. (1986) The structure of BO2 in its ground and low-lying excited states from ab initio SCF RHF AND CI calculations. Chemical Physics Letters, 129. 282-286 doi:10.1016/0009-2614(86)80212-3
Hess, Bernd A., Chandra, Praphull, Buenker, Robert J. (1985) Ab initio MRD CI calculation of the zero-field splitting of the 2Π ground state of the CBr molecule. Chemical Physics Letters, 119. 403-406 doi:10.1016/0009-2614(85)80443-7
Mayer, I. (1985) Charge, bond order and valence in the ab initio SCF theory. Chemical Physics Letters, 117. 396pp. doi:10.1016/0009-2614(85)85253-2
Nguyen, M.T., Kerins, M.C., Hegarty, A.F., Fitzpatrick, N.J. (1985) An ab initio study of the electronic spectrum of dichlorocarbene CCl2. Chemical Physics Letters, 118. 228pp. doi:10.1016/0009-2614(85)85305-7
 
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