A Density Functional Study on [2s + 2s] Addition Reactions in Organometallic Chemistry

Theoretical Aspects of Homogeneous Catalysis - Catalysis by Metal Complexes ◽

10.1007/978-94-011-0475-3_5 ◽

1995 ◽

pp. 115-165 ◽

Author(s):

Elzbieta Folga ◽

Tom Woo ◽

Tom Ziegler

Keyword(s):

Organometallic Chemistry ◽

Density Functional ◽

Functional Study ◽

Addition Reactions ◽

Density Functional Study

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ChemInform Abstract: A Density Functional Study on (2s + 2s) Addition Reactions in Organometallic Chemistry

10.1002/chin.199615297 ◽

2010 ◽

Vol 27 (15) ◽

pp. no-no

Author(s):

E. FOLGA ◽

T. WOO ◽

T. ZIEGLER

Keyword(s):

Organometallic Chemistry ◽

Density Functional ◽

Functional Study ◽

Addition Reactions ◽

Density Functional Study

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The addition reactions between N-heterocyclic carbenes and fullerenes (C60 and C70): a density functional study

Theoretical Chemistry Accounts ◽

10.1007/s00214-015-1629-3 ◽

2015 ◽

Vol 134 (3) ◽

Author(s):

Ming-Chung Li ◽

Ming-Der Su

Keyword(s):

Density Functional ◽

Heterocyclic Carbenes ◽

Functional Study ◽

Addition Reactions ◽

Density Functional Study ◽

Fullerenes C60 And C70

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Organometallic Chemistry of Ph3PCCO. Synthesis, Characterization, X-ray Structure Determination, and Density Functional Study of the First Stable Bis-η1-ketenyl Complex,trans-[PtCl2{η1-C(PPh3)CO}2]

Organometallics ◽

10.1021/om990826d ◽

2000 ◽

Vol 19 (7) ◽

pp. 1373-1383 ◽

Author(s):

Roberta Bertani ◽

Maurizio Casarin ◽

Paolo Ganis ◽

Chiara Maccato ◽

Luciano Pandolfo ◽

...

Keyword(s):

Organometallic Chemistry ◽

Structure Determination ◽

Density Functional ◽

Functional Study ◽

Density Functional Study ◽

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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 ◽

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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Electronic structure of oxide, peroxide, and superoxide clusters of the 3d elements: A comparative density functional study

The Journal of Chemical Physics ◽

10.1063/1.2831583 ◽

2008 ◽

Vol 128 (9) ◽

pp. 094307 ◽

Author(s):

Ellie L. Uzunova ◽

Hans Mikosch ◽

Georgi St. Nikolov

Keyword(s):

Electronic Structure ◽

Density Functional ◽

Functional Study ◽

Density Functional Study ◽

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Density functional study of non-isothermal hard sphere fluids

Molecular Physics ◽

10.1080/00268976.2021.1875077 ◽

2021 ◽

pp. e1875077

Author(s):

Wenhan Jia ◽

Isamu Kusaka

Keyword(s):

Hard Sphere ◽

Density Functional ◽

Functional Study ◽

Density Functional Study

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Charge transport properties in functionalized triphenylene and coronene derivatives: a density functional study using different functionals

Molecular Crystals and Liquid Crystals ◽

10.1080/15421406.2020.1870201 ◽

2021 ◽

pp. 1-15

Author(s):

Ziran Chen ◽

Yujin Zhang ◽

Yuan Li ◽

Wenhao Yu

Keyword(s):

Charge Transport ◽

Transport Properties ◽

Density Functional ◽

Functional Study ◽

Density Functional Study

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Density Functional Study of Metal-to-Ligand Charge Transfer and Hole-Hopping in Ruthenium(II) Complexes with Alkyl-Substituted Bipyridine Ligands

ACS Omega ◽

10.1021/acsomega.0c01199 ◽

2020 ◽

Author(s):

Salmahaminati ◽

Minori Abe ◽

Indra Purnama ◽

Jacob Yan Mulyana ◽

Masahiko Hada

Keyword(s):

Charge Transfer ◽

Density Functional ◽

Functional Study ◽

Density Functional Study ◽

Ligand Charge Transfer

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