A Hybrid DFT Study on the Mechanism of the Electron Conductivity of Molecular Devices Composed of Metal and Carbonyl Compounds

Hiroshi Kawabata; Yoshitaka Matsui; Ken-ichi Nakayama; Masaaki Yokoyama; Hiroto Tachikawa

doi:10.1080/08927020412331298676

A Hybrid DFT Study on the Mechanism of the Electron Conductivity of Molecular Devices Composed of Metal and Carbonyl Compounds

Molecular Simulation ◽

10.1080/08927020412331298676 ◽

2004 ◽

Vol 30 (13-15) ◽

pp. 923-928

Author(s):

Hiroshi Kawabata ◽

Yoshitaka Matsui ◽

Ken-ichi Nakayama ◽

Masaaki Yokoyama ◽

Hiroto Tachikawa

Keyword(s):

Carbonyl Compounds ◽

Electron Conductivity ◽

Dft Study ◽

Molecular Devices

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Ab-initio DFT study on the mechanism of the electron conductivity of molecular devices composed of indium atoms and CO carbonyl compounds

Journal of Materials Chemistry ◽

10.1039/b301913f ◽

2003 ◽

Vol 13 (6) ◽

pp. 1293-1297 ◽

Cited By ~ 19

Author(s):

Hiroto Tachikawa ◽

Hiroshi Kawabata

Keyword(s):

Ab Initio ◽

Carbonyl Compounds ◽

Electron Conductivity ◽

Dft Study ◽

Molecular Devices ◽

Ab Initio Dft

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Diastereoselective cycloaddition of tosylpropadiene to azomethine ylides, derived from proline and carbonyl compounds: an experimental and DFT study

Phosphorus Sulfur and Silicon and the Related Elements ◽

10.1080/10426507.2021.2017436 ◽

2021 ◽

pp. 1-5

Author(s):

Alexander V. Stepakov ◽

Alexander S. Filatov ◽

Vitali M. Boitsov ◽

Stanislav V. Lozovskiy

Keyword(s):

Carbonyl Compounds ◽

Dft Study ◽

Azomethine Ylides

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DFT study of competitive Wolff rearrangement and [1,2]-hydrogen shift of β-oxy-α-diazo carbonyl compounds

Journal of Molecular Structure THEOCHEM ◽

10.1016/s0166-1280(97)00034-1 ◽

1997 ◽

Vol 398-399 ◽

pp. 435-443 ◽

Cited By ~ 3

Author(s):

S Calvo-Losada ◽

J.J Quirante

Keyword(s):

Carbonyl Compounds ◽

Dft Study ◽

Wolff Rearrangement ◽

Hydrogen Shift ◽

Diazo Carbonyl Compounds

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A conceptual DFT study of the molecular properties of glycating carbonyl compounds

Chemistry Central Journal ◽

10.1186/s13065-017-0239-7 ◽

2017 ◽

Vol 11 (1) ◽

Cited By ~ 8

Author(s):

Juan Frau ◽

Daniel Glossman-Mitnik

Keyword(s):

Carbonyl Compounds ◽

Molecular Properties ◽

Conceptual Dft ◽

Dft Study

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Mechanism and enantioselectivity in α-alkylation of carbonyl compounds via photoredox organocatalysis: A DFT study

Computational and Theoretical Chemistry ◽

10.1016/j.comptc.2016.01.005 ◽

2016 ◽

Vol 1078 ◽

pp. 113-122 ◽

Cited By ~ 5

Author(s):

Xiang Zhang

Keyword(s):

Carbonyl Compounds ◽

Dft Study

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Enhancing Reactivity of Carbonyl Compounds via Hydrogen-Bond Formation. A DFT Study of the Hetero-Diels−Alder Reaction between Butadiene Derivative and Acetone in Chloroform

The Journal of Organic Chemistry ◽

10.1021/jo030156s ◽

2003 ◽

Vol 68 (22) ◽

pp. 8662-8668 ◽

Cited By ~ 65

Author(s):

Luis R. Domingo ◽

Juan Andrés

Keyword(s):

Hydrogen Bond ◽

Carbonyl Compounds ◽

Bond Formation ◽

Alder Reaction ◽

Diels Alder ◽

Dft Study ◽

Hydrogen Bond Formation ◽

Diels Alder Reaction

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Reactivity and selectivity of the InNPs mediated allylation of carbonyl compounds: a DFT study.

10.3390/ecsoc-20-e007 ◽

2016 ◽

Author(s):

Viviana Dorn ◽

Leandro Fortunato ◽

Lucía Rossi ◽

Gabriel Radivoy

Keyword(s):

Carbonyl Compounds ◽

Dft Study

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A DFT study of the asymmetric (S)-5-(pyrrolidin-2-yl)-1H-tetrazole catalyzed Michael addition of carbonyl compounds to nitroalkenes

Tetrahedron Asymmetry ◽

10.1016/j.tetasy.2007.01.011 ◽

2007 ◽

Vol 18 (2) ◽

pp. 157-164 ◽

Cited By ~ 29

Author(s):

Manuel Arnó ◽

Ramón J. Zaragozá ◽

Luis R. Domingo

Keyword(s):

Michael Addition ◽

Carbonyl Compounds ◽

Dft Study

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Molecular devices: A brilliant crossword puzzle

Nature China ◽

10.1038/nchina.2007.134 ◽

2007 ◽

Author(s):

Anne Pichon

Keyword(s):

Molecular Devices ◽

Crossword Puzzle

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The reduction of α,β-unsaturated carbonyl compounds by the meerwein—ponndorf—verley method: The cause of low yields

Journal of Applied Chemistry and Biotechnology ◽

10.1002/jctb.5020220404 ◽

1972 ◽

Vol 22 (4) ◽

pp. 465-474 ◽

Cited By ~ 2

Author(s):

J. H. P. Tyman

Keyword(s):

Carbonyl Compounds

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