extended cndo
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ChemInform Abstract: Theoretical and Molecular Modelling Studies on Organic Transition Metal Complexes. Part 3. Calculation of the conformational Energies of Transition-Metal Dichloro-bis(pyridine) Complexes Using an Extended CNDO/2 Method

10.1002/chin.198826066 ◽

1988 ◽

Vol 19 (26) ◽

Author(s):

J. O. MORLEY

Keyword(s):

Transition Metal ◽

Metal Complexes ◽

Transition Metal Complexes ◽

Molecular Modelling ◽

Pyridine Complexes ◽

Molecular Modelling Studies ◽

Modelling Studies ◽

Organic Transition ◽

Extended Cndo ◽

Conformational Energies

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Theoretical and molecular modelling studies on organic transition metal complexes. III. Calculation of the conformational energies of transition-metal dichloro-bis(pyridine) complexes using an extended CNDO/2 method

Recueil des Travaux Chimiques des Pays-Bas ◽

10.1002/recl.19881070208 ◽

1988 ◽

Vol 107 (2) ◽

pp. 89-93 ◽

Author(s):

John O. Morley

Keyword(s):

Transition Metal ◽

Metal Complexes ◽

Transition Metal Complexes ◽

Molecular Modelling ◽

Pyridine Complexes ◽

Molecular Modelling Studies ◽

Modelling Studies ◽

Organic Transition ◽

Extended Cndo ◽

Conformational Energies

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Theoretical studies on organic transition-metal complexes—I. Parameterization and calibration of an extended CNDO/2 method for the calculation of stability constants

10.1016/s0277-5387(00)80872-4 ◽

1987 ◽

Vol 6 (6) ◽

pp. 1215-1222 ◽

Author(s):

John A. Hunter ◽

John O. Morley

Keyword(s):

Transition Metal ◽

Metal Complexes ◽

Stability Constants ◽

Transition Metal Complexes ◽

Theoretical Studies ◽

Organic Transition ◽

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Extended CNDO/2 studies of the isoelectronic series AM(CO)3 (AM  η6-C6H6Cr,η5-C5H5Mn,η4-C4H4Fe,η3-C3H5Co,η2-C2H4Ni) and of (η6-C6H6)2Cr

Journal of Organometallic Chemistry ◽

10.1016/s0022-328x(00)98069-0 ◽

1977 ◽

Vol 127 (3) ◽

pp. 325-335 ◽

Author(s):

Noel J. Fitzpatrick ◽

Jean-Michel Savariault ◽

Jean-Francois R. Labarre

Keyword(s):

Isoelectronic Series ◽

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Calculations with an extended CNDO APSG procedure

Chemical Physics Letters ◽

10.1016/0009-2614(76)85163-9 ◽

1976 ◽

Vol 38 (2) ◽

pp. 317-320

Author(s):

F. Birnstock ◽

G. Peinel

Keyword(s):

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Extended CNDO calculations upon styrene and aniline

Journal of Molecular Spectroscopy ◽

10.1016/0022-2852(72)90107-5 ◽

1972 ◽

Vol 44 (2) ◽

pp. 286-297 ◽

Author(s):

G.W. King ◽

A.A.G. van Putten

Keyword(s):

Extended Cndo ◽

Cndo Calculations

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Extended CNDO calculations upon benzonitrile and ethynylbenzene

Journal of Molecular Spectroscopy ◽

10.1016/0022-2852(72)90226-3 ◽

1972 ◽

Vol 42 (3) ◽

pp. 514-522 ◽

Author(s):

G.W. King ◽

A.A.G. van Putten

Keyword(s):

Extended Cndo ◽

Cndo Calculations

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