Density Functional Study of N2Activation by Molybdenum(III) Complexes. Unusually Strong Relativistic Effects in 4d Metal Compounds

Konstantin M. Neyman; Vladimir A. Nasluzov; Jutta Hahn; Clark R. Landis; Notker Rösch

doi:10.1021/om9607863

Density Functional Study of N2Activation by Molybdenum(III) Complexes. Unusually Strong Relativistic Effects in 4d Metal Compounds

Organometallics ◽

10.1021/om9607863 ◽

1997 ◽

Vol 16 (5) ◽

pp. 995-1000 ◽

Cited By ~ 38

Author(s):

Konstantin M. Neyman ◽

Vladimir A. Nasluzov ◽

Jutta Hahn ◽

Clark R. Landis ◽

Notker Rösch

Keyword(s):

Density Functional ◽

Relativistic Effects ◽

Functional Study ◽

Metal Compounds ◽

Density Functional Study

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Relativistic Effects on Metal-Ligand Bond Strengths in .pi.-Complexes: Quasi-Relativistic Density Functional Study of M(PH3)2X2 (M = Ni, Pd, Pt; X2 = O2, C2H2, C2H4) and M(CO)4(C2H4) (M = Fe, Ru, Os)

Inorganic Chemistry ◽

10.1021/ic00116a017 ◽

1995 ◽

Vol 34 (12) ◽

pp. 3245-3252 ◽

Cited By ~ 50

Author(s):

Jian Li ◽

Georg Schreckenbach ◽

Tom Ziegler

Keyword(s):

Density Functional ◽

Relativistic Effects ◽

Functional Study ◽

Density Functional Study ◽

Bond Strengths ◽

Pi Complexes ◽

Metal Ligand ◽

Ligand Bond

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A comparative density functional study of the high-pressure phases of solid ZnX, CdX, and HgX (X = S, Se, and Te): Trends and relativistic effects

The Journal of Chemical Physics ◽

10.1063/1.4730300 ◽

2012 ◽

Vol 137 (3) ◽

pp. 034705 ◽

Cited By ~ 11

Author(s):

S. Biering ◽

P. Schwerdtfeger

Keyword(s):

High Pressure ◽

Density Functional ◽

Relativistic Effects ◽

Functional Study ◽

Density Functional Study

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Relativistic Effects on Bonding in Cationic Transition-Metal-Carbene Complexes: A Density-Functional Study

Journal of the American Chemical Society ◽

10.1021/ja00106a057 ◽

1995 ◽

Vol 117 (1) ◽

pp. 495-500 ◽

Cited By ~ 79

Author(s):

Christoph Heinemann ◽

Roland H. Hertwig ◽

Ralf Wesendrup ◽

Wolfram Koch ◽

Helmut Schwarz

Keyword(s):

Transition Metal ◽

Density Functional ◽

Relativistic Effects ◽

Functional Study ◽

Carbene Complexes ◽

Density Functional Study

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A comparative density functional study of the low pressure phases of solid ZnX, CdX, and HgX: Trends and relativistic effects

The Journal of Chemical Physics ◽

10.1063/1.3675833 ◽

2012 ◽

Vol 136 (3) ◽

pp. 034504 ◽

Cited By ~ 17

Author(s):

S. Biering ◽

P. Schwerdtfeger

Keyword(s):

Density Functional ◽

Relativistic Effects ◽

Low Pressure ◽

Functional Study ◽

Density Functional Study

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The Metal Carbon Double Bond in Fischer Carbenes: A Density Functional Study of the Importance of Nonlocal Density Corrections and Relativistic Effects

The Journal of Physical Chemistry ◽

10.1021/j100095a024 ◽

1994 ◽

Vol 98 (44) ◽

pp. 11406-11410 ◽

Cited By ~ 27

Author(s):

Heiko Jacobsen ◽

Georg Schreckenbach ◽

Tom Ziegler

Keyword(s):

Double Bond ◽

Density Functional ◽

Relativistic Effects ◽

Functional Study ◽

Density Functional Study ◽

Carbon Double Bond ◽

Fischer Carbenes ◽

Density Corrections

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Density Functional Study on Correlation between Magnetism and Crystal Structure of Fe-Al Transition Metal Compounds

Journal of the Korean Magnetics Society ◽

10.4283/jkms.2011.21.2.043 ◽

2011 ◽

Vol 21 (2) ◽

pp. 43-47

Author(s):

Won-Seok Yun ◽

In-Gee Kim

Keyword(s):

Crystal Structure ◽

Transition Metal ◽

Density Functional ◽

Transition Metal Compounds ◽

Functional Study ◽

Metal Compounds ◽

Density Functional Study

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A local density functional study of the structure and vibrational frequencies of molecular transition-metal compounds

The Journal of Physical Chemistry ◽

10.1021/j100195a022 ◽

1992 ◽

Vol 96 (16) ◽

pp. 6630-6636 ◽

Cited By ~ 514

Author(s):

Carlos Sosa ◽

Jan Andzelm ◽

Brad C. Elkin ◽

Erich Wimmer ◽

Kerwin D. Dobbs ◽

...

Keyword(s):

Transition Metal ◽

Density Functional ◽

Local Density ◽

Vibrational Frequencies ◽

Transition Metal Compounds ◽

Functional Study ◽

Metal Compounds ◽

Density Functional Study ◽

Molecular Transition ◽

Local Density Functional

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Combinedab initio and density functional study of ring chain tautomerism in benzofurazan-1-oxide

Journal of Computational Chemistry ◽

10.1002/jcc.5 ◽

1996 ◽

Vol 17 (16) ◽

pp. 1848-1856 ◽

Cited By ~ 2

Author(s):

Guntram Rauhut

Keyword(s):

Density Functional ◽

Functional Study ◽

Density Functional Study

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Density Functional Study of the First-Row Transition-Metal Monoxides*

Zeitschrift für Physikalische Chemie ◽

10.1524/zpch.1996.1.1.039 ◽

1996 ◽

Vol 1 (1) ◽

pp. 39-49

Author(s):

J. Piechota ◽

M. Suffczyński

Keyword(s):

Transition Metal ◽

Density Functional ◽

Functional Study ◽

Density Functional Study

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Predicted structures and electronic properties of gallium-indium clusters GamInn–m (n = 4, 6, 8 and m < n): A density functional study

Журнал структурной химии ◽

10.26902/jsc20180501 ◽

2018 ◽

Vol 59 (5) ◽

Keyword(s):

Electronic Properties ◽

Density Functional ◽

Functional Study ◽

Density Functional Study

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