DFT studies of the methyl exchange reaction between Cp2M–CH3or Cp*2M–CH3(Cp = C5H5, Cp* = C5Me5, M = Y, Sc, Ln) and CH4. Does M ionic radius control the reaction?

DFT studies of the methyl exchange reaction between Cp2M–CH3or Cp2M–CH3(Cp = C5H5, Cp = C5Me5, M = Y, Sc, Ln) and CH4. Does M ionic radius control the reaction?

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Chemoselectivity in σ bond activation by lanthanocene complexes from a DFT perspective: reactions of Cp2LnR (R = CH3, H, SiH3) with SiH4and CH3–SiH3

P2860

Q57400211-1201059D-7B80-4C61-82F9-2F7CA1BD2BD8

P2860

DFT studies of the methyl exchange reaction between Cp2M–CH3or Cp2M–CH3(Cp = C5H5, Cp = C5Me5, M = Y, Sc, Ln) and CH4. Does M ionic radius control the reaction?

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im Januar 2006 veröffentlichter wissenschaftlicher Artikel

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wetenschappelijk artikel

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наукова стаття, опублікована у 2006

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DFT studies of the methyl exch ...... c radius control the reaction?

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DFT studies of the methyl exch ...... c radius control the reaction?

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DFT studies of the methyl exch ...... c radius control the reaction?

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DFT studies of the methyl exch ...... c radius control the reaction?

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DFT studies of the methyl exch ...... c radius control the reaction?

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DFT studies of the methyl exch ...... c radius control the reaction?

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P1476

DFT studies of the methyl exch ...... c radius control the reaction?

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P2093

Laurent Maron

http://www.w3.org/2001/XMLSchema#string

Noemi Barros

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P2860

Density-functional thermochemistry. III. The role of exact exchange

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Accurate and simple analytic representation of the electron-gas correlation energy

Alkane C–H activation and functionalization with homogeneous transition metal catalysts: a century of progress—a new millennium in prospect

Catalytic functionalization of hydrocarbons by sigma-bond-metathesis chemistry: dehydrosilylation of methane with a scandium catalyst.

Catalysis research of relevance to carbon management: progress, challenges, and opportunities.

Understanding and exploiting C-H bond activation.

Treatment of substitution and rearrangement mechanisms of transition metal complexes with quantum chemical methods.

Mechanistic aspects of C-H activation by Pt complexes.

Are the carbon monoxide complexes of Cp(2)M (M = Ca, Eu, or Yb) carbon or oxygen bonded? An answer from DFT calculations.

P304

3052-3057

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P31

scholarly article

P356

10.1039/B600021E

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P407

English

P433

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P50

Odile Eisenstein

P577

2006-01-01T00:00:00Z

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P698

16786063

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DFT studies of the methyl exchange reaction between Cp2M–CH3or Cp*2M–CH3(Cp = C5H5, Cp* = C5Me5, M = Y, Sc, Ln) and CH4. Does M ionic radius control the reaction?

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P2860

P2860

DFT studies of the methyl exchange reaction between Cp2M–CH3or Cp*2M–CH3(Cp = C5H5, Cp* = C5Me5, M = Y, Sc, Ln) and CH4. Does M ionic radius control the reaction?

description

name

type

label

prefLabel

P1433

P1476

P2093

P2860

P304

P31

P356

P407

P433

P50

P577

P698

P356

P1433

P1476

P2093

P2860

P304

P31

P356

P407

P433

P50

P577

P698

DFT studies of the methyl exchange reaction between Cp2M–CH3or Cp2M–CH3(Cp = C5H5, Cp = C5Me5, M = Y, Sc, Ln) and CH4. Does M ionic radius control the reaction?

DFT studies of the methyl exchange reaction between Cp2M–CH3or Cp2M–CH3(Cp = C5H5, Cp = C5Me5, M = Y, Sc, Ln) and CH4. Does M ionic radius control the reaction?