Dynamical Density Functional Study of the Multistep CO Insertion into Zirconium−Carbon Bonds Anchored to a Calix[4]arene Moiety

S. Fantacci; F. De Angelis; A. Sgamellotti; N. Re

doi:10.1021/om010509i

Dynamical Density Functional Study of the Multistep CO Insertion into Zirconium−Carbon Bonds Anchored to a Calix[4]arene Moiety

Organometallics ◽

10.1021/om010509i ◽

2001 ◽

Vol 20 (19) ◽

pp. 4031-4039 ◽

Cited By ~ 8

Author(s):

S. Fantacci ◽

F. De Angelis ◽

A. Sgamellotti ◽

N. Re

Keyword(s):

Density Functional ◽

Functional Study ◽

Density Functional Study ◽

Co Insertion ◽

Carbon Bonds

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Density Functional Study of CO Insertion into the Metal−Alkyl Bond in Bis(cyclopentadienyl)−Zr−(CH3)2

Organometallics ◽

10.1021/om0006460 ◽

2000 ◽

Vol 19 (23) ◽

pp. 4904-4911 ◽

Cited By ~ 9

Author(s):

F. De Angelis ◽

A. Sgamellotti ◽

N. Re

Keyword(s):

Density Functional ◽

Functional Study ◽

Density Functional Study ◽

Co Insertion

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A density functional study on the activation of hydrogen-hydrogen and hydrogen-carbon bonds by Cp2Sc-H and Cp2Sc-CH3

Journal of the American Chemical Society ◽

10.1021/ja00055a037 ◽

1993 ◽

Vol 115 (2) ◽

pp. 636-646 ◽

Cited By ~ 83

Author(s):

T. Ziegler ◽

E. Folga ◽

A. Berces

Keyword(s):

Density Functional ◽

Functional Study ◽

Density Functional Study ◽

Carbon Bonds

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A dynamical density functional study of CO insertion into the metal–alkyl bond in Ti(Cp)2(CH3)2

Journal of the Chemical Society Dalton Transactions ◽

10.1039/b009833g ◽

2001 ◽

pp. 1023-1028 ◽

Cited By ~ 6

Author(s):

Filippo De Angelis ◽

Antonio Sgamellotti ◽

Nazzareno Re

Keyword(s):

Density Functional ◽

Functional Study ◽

Density Functional Study ◽

Co Insertion

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Four- and Five-Coordinate CO Insertion in the Copolymerization of Carbon Monoxide and Olefins Catalyzed by Diphosphine Nickel(II) Complexes: A Dynamical Density Functional Study

Organometallics ◽

10.1021/om011027+ ◽

2002 ◽

Vol 21 (10) ◽

pp. 2036-2040 ◽

Cited By ~ 10

Author(s):

Filippo De Angelis ◽

Antonio Sgamellotti ◽

Nazzareno Re

Keyword(s):

Carbon Monoxide ◽

Density Functional ◽

Functional Study ◽

Density Functional Study ◽

Co Insertion

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Density Functional Study of CO Insertion into the Metal-Alkyl Bond in Bis(cyclopentadienyl)-Zr-(CH)

Organometallics ◽

10.1021/om0101240 ◽

2001 ◽

Vol 20 (7) ◽

pp. 1486-1486 ◽

Cited By ~ 1

Author(s):

F. De Angelis ◽

A. Sgamellotti ◽

N. Re

Keyword(s):

Density Functional ◽

Functional Study ◽

Density Functional Study ◽

Co Insertion

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The migratory insertion of carbon monoxide and methyl isocyanide into zirconium?carbon and titanium?carbon bonds anchored to a calix[4]arene moiety: a dynamical density functional study

Theoretical Chemistry Accounts ◽

10.1007/s00214-003-0472-0 ◽

2003 ◽

Vol 110 (3) ◽

pp. 196-204 ◽

Cited By ~ 7

Author(s):

Filippo De Angelis ◽

Simona Fantacci ◽

Antonio Sgamellotti ◽

Nazzareno Re

Keyword(s):

Carbon Monoxide ◽

Density Functional ◽

Functional Study ◽

Density Functional Study ◽

Migratory Insertion ◽

Carbon Bonds ◽

Methyl Isocyanide

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ChemInform Abstract: A Density Functional Study on the Strength of the Metal Bonds in Co2( CO)8 and Mn2(CO)10 and the Metal-Hydrogen and Metal-Carbon Bonds in R- Mn(CO)5 and R-Co(CO)4

ChemInform ◽

10.1002/chin.199342030 ◽

2010 ◽

Vol 24 (42) ◽

pp. no-no

Author(s):

E. FOLGA ◽

T. ZIEGLER

Keyword(s):

Density Functional ◽

Functional Study ◽

Density Functional Study ◽

Carbon Bonds ◽

Metal Bonds

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Migratory CO Insertion and Aldehyde Formation in Carbonylation of Methane by the Rh(PH3)2Cl Catalyst. A Dynamical Density Functional Study

Journal of the American Chemical Society ◽

10.1021/ja954168+ ◽

1996 ◽

Vol 118 (23) ◽

pp. 5412-5419 ◽

Cited By ~ 23

Author(s):

Peter Margl ◽

Tom Ziegler ◽

Peter E. Blöchl

Keyword(s):

Density Functional ◽

Functional Study ◽

Density Functional Study ◽

Co Insertion

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A density functional study on the strength of the metal bonds in Co2(CO)8 and Mn2(CO)10 and the metal-hydrogen and metal-carbon bonds in R-Mn(CO)5 and R-Co(CO)4

Journal of the American Chemical Society ◽

10.1021/ja00065a031 ◽

1993 ◽

Vol 115 (12) ◽

pp. 5169-5176 ◽

Cited By ~ 58

Author(s):

Elzbieta Folga ◽

Tom Ziegler

Keyword(s):

Density Functional ◽

Functional Study ◽

Density Functional Study ◽

Carbon Bonds ◽

Metal Bonds

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A Dynamic Density Functional Study of the Stepwise Migratory Insertion of Isocyanides into Zirconium−Carbon Bonds Anchored to a Calix[4]arene Moiety

Organometallics ◽

10.1021/om020250j ◽

2002 ◽

Vol 21 (20) ◽

pp. 4090-4098 ◽

Cited By ~ 5

Author(s):

Simona Fantacci ◽

Filippo De Angelis ◽

Antonio Sgamellotti ◽

Nazzareno Re

Keyword(s):

Density Functional ◽

Functional Study ◽

Dynamic Density ◽

Density Functional Study ◽

Migratory Insertion ◽

Carbon Bonds

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