A Density Functional Theory Study of η2Acyl Bonding in Fe and Mn Carbonyl Complexes

Xianghuai Wang; Eric Weitz

doi:10.1021/jp0214099

A Density Functional Theory Study of η2Acyl Bonding in Fe and Mn Carbonyl Complexes

The Journal of Physical Chemistry A ◽

10.1021/jp0214099 ◽

2002 ◽

Vol 106 (48) ◽

pp. 11782-11790 ◽

Cited By ~ 9

Author(s):

Xianghuai Wang ◽

Eric Weitz

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Carbonyl Complexes ◽

Density Functional Theory Study ◽

Functional Theory ◽

Fe And Mn

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Mechanisms of the Water–Gas Shift Reaction Catalyzed by Carbonyl Complexes Mo(CO)6 and Mo2(CO)10: A Density Functional Theory Study

Journal of Cluster Science ◽

10.1007/s10876-017-1231-z ◽

2017 ◽

Vol 28 (5) ◽

pp. 2433-2448

Author(s):

Wenli Li ◽

Ling Guo ◽

Zhaoru Cao ◽

Naying Liu ◽

Xiaoli Zheng ◽

...

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Water Gas Shift ◽

Carbonyl Complexes ◽

Water Gas Shift Reaction ◽

Density Functional Theory Study ◽

Functional Theory ◽

Shift Reaction ◽

Water Gas

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Electronic structure and molecular properties of binuclear group VII pentalene metal carbonyl complexes [C8H6{M(CO3)}2] (M=Mn, Tc, Re, Bh): A relativistic density functional theory study

Polyhedron ◽

10.1016/j.poly.2009.03.016 ◽

2009 ◽

Vol 28 (8) ◽

pp. 1561-1567 ◽

Cited By ~ 8

Author(s):

A. Muñoz-Castro ◽

D. Mac-Leod Carey ◽

R. Arratia-Pérez

Keyword(s):

Density Functional Theory ◽

Electronic Structure ◽

Density Functional ◽

Metal Carbonyl ◽

Molecular Properties ◽

Carbonyl Complexes ◽

Density Functional Theory Study ◽

Functional Theory ◽

Metal Carbonyl Complexes

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Iron carbonyl complexes of a rigid chelating dicarbene: A density functional theory study

Inorganica Chimica Acta ◽

10.1016/j.ica.2020.120002 ◽

2021 ◽

Vol 514 ◽

pp. 120002

Author(s):

Cosmin Bălăiu ◽

Amr A.A. Attia ◽

Alexandru Lupan ◽

R. Bruce King

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Iron Carbonyl ◽

Carbonyl Complexes ◽

Density Functional Theory Study ◽

Functional Theory

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UV−Visible Absorption Spectra of Small Platinum Carbonyl Complexes and Particles: A Density Functional Theory Study

The Journal of Physical Chemistry A ◽

10.1021/jp912117q ◽

2010 ◽

Vol 114 (23) ◽

pp. 6451-6462 ◽

Cited By ~ 16

Author(s):

Franck Rabilloud ◽

Moussab Harb ◽

Hameth Ndome ◽

Pierre Archirel

Keyword(s):

Density Functional Theory ◽

Absorption Spectra ◽

Density Functional ◽

Carbonyl Complexes ◽

Density Functional Theory Study ◽

Visible Absorption ◽

Functional Theory ◽

Uv Visible

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Methylene imino radical H2CN : matrix isolation ESR and density functional theory study

Molecular Physics ◽

10.1080/002689799165107 ◽

1999 ◽

Vol 96 (6) ◽

pp. 993-1000 ◽

Cited By ~ 2

Author(s):

PAUL H. KASAI

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Matrix Isolation ◽

Density Functional Theory Study ◽

Functional Theory

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A Density Functional Theory Study of 2-Chlorothiophene Adsorption on Rh(111) Surface

CHINESE JOURNAL OF CATALYSIS (CHINESE VERSION) ◽

10.3724/sp.j.1088.2010.90513 ◽

2010 ◽

Vol 31 (1) ◽

pp. 49-55

Author(s):

Zhanhong CHEN ◽

Kaining DING ◽

Xianglan XU ◽

Junqian LI

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory

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Density Functional Theory Study on the Relationship between Polymerization Activity and Substituent Electronic Effect of Polyolefin Catalysts

CHINESE JOURNAL OF CATALYSIS (CHINESE VERSION) ◽

10.3724/sp.j.1088.2010.00126 ◽

2010 ◽

Vol 31 (9) ◽

pp. 1127-1131

Author(s):

Huayi LI ◽

Liaoyun ZHANG ◽

Youliang HU

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Electronic Effect ◽

Density Functional Theory Study ◽

Functional Theory ◽

The Relationship

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Density Functional Theory Study of the Gas Phase and Surface Reaction Kinetics for the MOVPE Growth of GaAs1–yBiy

The Journal of Physical Chemistry A ◽

10.1021/acs.jpca.9b10399 ◽

2020 ◽

Vol 124 (9) ◽

pp. 1682-1697

Author(s):

Ryan C. Lucas ◽

Dane Morgan ◽

Thomas F. Kuech

Keyword(s):

Density Functional Theory ◽

Reaction Kinetics ◽

Gas Phase ◽

Density Functional ◽

Surface Reaction ◽

Density Functional Theory Study ◽

Functional Theory ◽

Movpe Growth ◽

Surface Reaction Kinetics

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Structural Stability of Ruthenium Nanoparticles: A Density Functional Theory Study

The Journal of Physical Chemistry C ◽

10.1021/acs.jpcc.7b08672 ◽

2017 ◽

Vol 121 (49) ◽

pp. 27445-27452 ◽

Cited By ~ 21

Author(s):

Yusuke Nanba ◽

Takayoshi Ishimoto ◽

Michihisa Koyama

Keyword(s):

Density Functional Theory ◽

Structural Stability ◽

Density Functional ◽

Density Functional Theory Study ◽

Ruthenium Nanoparticles ◽

Functional Theory

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Density Functional Theory Study on Electronic and Magnetic Properties of Mn‐Doped (MgO)n (n=2–10) Clusters

Chinese Journal of Chemical Physics ◽

10.1063/1674-0068/26/01/35-42 ◽

2013 ◽

Vol 26 (1) ◽

pp. 35-42 ◽

Cited By ~ 10

Author(s):

Peng Wang ◽

Ming‐xia Yang ◽

Sheng‐li Zhang ◽

Shi‐ping Huang ◽

Hui‐ping Tian

Keyword(s):

Density Functional Theory ◽

Magnetic Properties ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory ◽

Electronic And Magnetic Properties ◽

Mn Doped

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