Theoretical Study of Dinitrogen Activation in Dinuclear V(II) and V(III) Hexacoordinated Complexes: Ab Initio Calculations on Various Model Compounds

Nazzareno Re; Marzio Rosi; Antonio Sgamellotti; Carlo Floriani

doi:10.1021/ic00117a007

Theoretical Study of Dinitrogen Activation in Dinuclear V(II) and V(III) Hexacoordinated Complexes: Ab Initio Calculations on Various Model Compounds

Inorganic Chemistry ◽

10.1021/ic00117a007 ◽

1995 ◽

Vol 34 (13) ◽

pp. 3410-3417 ◽

Cited By ~ 6

Author(s):

Nazzareno Re ◽

Marzio Rosi ◽

Antonio Sgamellotti ◽

Carlo Floriani

Keyword(s):

Ab Initio Calculations ◽

Ab Initio ◽

Theoretical Study ◽

Model Compounds

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ChemInform Abstract: Theoretical Study on the Coordination of Dinitrogen and Related Molecules to Nickel(0): “ab initio” Calculations on the Model Compounds (Ni(PH3)2(N2)), (Ni(PH3)2(N2CH2)), and (Ni(PH3)2(N2H2)).

ChemInform ◽

10.1002/chin.198915001 ◽

1989 ◽

Vol 20 (15) ◽

Author(s):

M. ROSI ◽

A. SGAMELLOTTI ◽

F. TARANTELLI ◽

C. FLORIANI ◽

L. S. CEDERBAUM

Keyword(s):

Ab Initio Calculations ◽

Ab Initio ◽

Theoretical Study ◽

Model Compounds

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A theoretical study on the co-ordination of dinitrogen and related molecules to nickel(0): ‘ab initio’ calculations on the model compounds [Ni(PH3)2(N2)], [Ni(PH3)2(N2CH2)], and [Ni(PH3)2(N2H2)]

Journal of the Chemical Society Dalton Transactions ◽

10.1039/dt9890000033 ◽

1989 ◽

pp. 33-38 ◽

Cited By ~ 6

Author(s):

Marzio Rosi ◽

Antonio Sgamellotti ◽

Francesco Tarantelli ◽

Carlo Floriani ◽

Lorenz S. Cederbaum

Keyword(s):

Ab Initio Calculations ◽

Ab Initio ◽

Theoretical Study ◽

Model Compounds

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A Theoretical Study of Dinitrogen Activation by Vanadium(II) and Vanadium(III): Ab Initio Calculations on Various Model Compounds

Inorganic Chemistry ◽

10.1021/ic00097a030 ◽

1994 ◽

Vol 33 (19) ◽

pp. 4390-4397 ◽

Cited By ~ 7

Author(s):

Nazzareno Re ◽

Marzio Rosi ◽

Antonio Sgamellotti ◽

Carlo Floriani ◽

Euro Solari

Keyword(s):

Ab Initio Calculations ◽

Ab Initio ◽

Theoretical Study ◽

Model Compounds

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ChemInform Abstract: Interaction Between Iron(0) and Formaldehyde, Thioformaldehyde, and Acetone: “Ab initio” Calculations on the Model Compounds Fe(CO)2(PH3)2(η2-CH2O), Fe(CO)2(PH3)2(η2-CH2S), Fe(PH3)4(η2-CH2O), and Fe(PH3)4(η2-CMe2O)

ChemInform ◽

10.1002/chin.198817273 ◽

1988 ◽

Vol 19 (17) ◽

Author(s):

M. ROSI ◽

A. SGAMELLOTTI ◽

F. TARANTELLI ◽

C. FLORIANI

Keyword(s):

Ab Initio Calculations ◽

Ab Initio ◽

Model Compounds

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Synthesis, spectroscopy, electrochemistry and thermal study of vanadyl tridentate Schiff base complexes: theoretical study of the structures of compounds by ab initio calculations

Journal of the Iranian Chemical Society ◽

10.1007/s13738-012-0165-5 ◽

2012 ◽

Vol 10 (2) ◽

pp. 347-355 ◽

Cited By ~ 5

Author(s):

Ali Hossein Kianfar ◽

Sanam Asl Khademi ◽

Roghaye Hashemi Fath ◽

Mahmoud Roushani ◽

Mojtaba Shamsipur

Keyword(s):

Schiff Base ◽

Ab Initio Calculations ◽

Ab Initio ◽

Theoretical Study ◽

Thermal Study ◽

Schiff Base Complexes ◽

Tridentate Schiff Base

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ChemInform Abstract: A Theoretical Study of the Minimum Energy Structures of Diethylstilbestrol (I) and Its Analogues (II), (III) by Molecular Mechanics (MM2p), MNDO, and ab initio Calculations.

Chemischer Informationsdienst ◽

10.1002/chin.198620054 ◽

1986 ◽

Vol 17 (20) ◽

Author(s):

T. DARDEN ◽

J. D. MCKINNEY ◽

K. GOTTSCHALK ◽

A. T. MAYNARD ◽

L. G. PEDERSEN

Keyword(s):

Ab Initio Calculations ◽

Ab Initio ◽

Molecular Mechanics ◽

Theoretical Study ◽

Minimum Energy

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Theoretical study of structures, energetics, and electronic properties of small urea clusters by ab initio calculations

Journal of Inorganic Biochemistry ◽

10.1016/s0162-0134(97)80313-3 ◽

1997 ◽

Vol 67 (1-4) ◽

pp. 453

Author(s):

R.V. Belosludov ◽

Zhi-Qiang Li ◽

Yoshiyuki Kawazoe

Keyword(s):

Ab Initio Calculations ◽

Ab Initio ◽

Electronic Properties ◽

Theoretical Study

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Experimental and theoretical study of thermodynamic excess properties of associating liquid alkanol+4-picoline mixtures based on quantum mechanical ab initio calculations

Journal of Molecular Liquids ◽

10.1016/j.molliq.2007.02.001 ◽

2007 ◽

Vol 136 (1-2) ◽

pp. 94-103 ◽

Cited By ~ 10

Author(s):

Eckard Bich ◽

Marzena Dzida ◽

Tatiana Vasiltsova ◽

Andreas Heintz

Keyword(s):

Ab Initio Calculations ◽

Ab Initio ◽

Theoretical Study ◽

Excess Properties ◽

Quantum Mechanical ◽

Thermodynamic Excess Properties ◽

Thermodynamic Excess

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Theoretical study of the structures of Schiff base compounds and thermodynamic study of the tautomerism reactions by ab initio calculations

Egyptian Journal of Petroleum ◽

10.1016/j.ejpe.2015.03.010 ◽

2017 ◽

Vol 26 (4) ◽

pp. 865-874 ◽

Cited By ~ 1

Author(s):

Ali Hossein Kianfar ◽

Roghayeh Hashemi Fath

Keyword(s):

Schiff Base ◽

Ab Initio Calculations ◽

Ab Initio ◽

Theoretical Study ◽

Thermodynamic Study

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ChemInform Abstract: Iron-Formaldehyde Interaction: “ab initio” Calculations on the Model Compounds (Fe(CO)4-n(PH3)n(η2-CH2O)) (n = 0, 2, or 4).

ChemInform ◽

10.1002/chin.198819056 ◽

1988 ◽

Vol 19 (19) ◽

Author(s):

M. ROSI ◽

A. SGAMELLOTTI ◽

F. TARANTELLI ◽

C. FLORIANI ◽

M. F. GUEST

Keyword(s):

Ab Initio Calculations ◽

Ab Initio ◽

Model Compounds

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