Zirconium−Alkyl Isomerizations in Zirconocene-Catalyzed Olefin Polymerization:  A Density Functional Study

Marc-Heinrich Prosenc; Hans-Herbert Brintzinger

doi:10.1021/om970227b

Zirconium−Alkyl Isomerizations in Zirconocene-Catalyzed Olefin Polymerization: A Density Functional Study

Organometallics ◽

10.1021/om970227b ◽

1997 ◽

Vol 16 (18) ◽

pp. 3889-3894 ◽

Cited By ~ 38

Author(s):

Marc-Heinrich Prosenc ◽

Hans-Herbert Brintzinger

Keyword(s):

Density Functional ◽

Olefin Polymerization ◽

Functional Study ◽

Density Functional Study

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Density Functional Study on Activation and Ion-Pair Formation in Group IV Metallocene and Related Olefin Polymerization Catalysts

Organometallics ◽

10.1021/om9903285 ◽

1999 ◽

Vol 18 (22) ◽

pp. 4624-4636 ◽

Cited By ~ 63

Author(s):

Mary S. W. Chan ◽

Kumar Vanka ◽

Cory C. Pye ◽

Tom Ziegler

Keyword(s):

Density Functional ◽

Olefin Polymerization ◽

Ion Pair ◽

Pair Formation ◽

Group Iv ◽

Functional Study ◽

Polymerization Catalysts ◽

Density Functional Study ◽

Ion Pair Formation

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A Density Functional Study of Chain Growing and Chain Terminating Steps in Olefin Polymerization by Metallocene and Constrained Geometry Catalysts

Organometallics ◽

10.1021/om00018a019 ◽

1994 ◽

Vol 13 (6) ◽

pp. 2252-2261 ◽

Cited By ~ 126

Author(s):

T. K. Woo ◽

L. Fan ◽

T. Ziegler

Keyword(s):

Density Functional ◽

Olefin Polymerization ◽

Functional Study ◽

Density Functional Study ◽

Constrained Geometry

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Density Functional Study of the Insertion Step in Olefin Polymerization by Metallocene and Constrained-Geometry Catalysts

Organometallics ◽

10.1021/om00014a012 ◽

1994 ◽

Vol 13 (2) ◽

pp. 432-433 ◽

Cited By ~ 61

Author(s):

T. K. Woo ◽

L. Fan ◽

T. Ziegler

Keyword(s):

Density Functional ◽

Olefin Polymerization ◽

Functional Study ◽

Density Functional Study ◽

Constrained Geometry

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Density Functional Study of Neutral Salicylaldiminato Nickel(II) Complexes as Olefin Polymerization Catalysts

Organometallics ◽

10.1021/om000055+ ◽

2000 ◽

Vol 19 (14) ◽

pp. 2741-2750 ◽

Cited By ~ 61

Author(s):

Mary S. W. Chan ◽

Liqun Deng ◽

Tom Ziegler

Keyword(s):

Density Functional ◽

Olefin Polymerization ◽

Functional Study ◽

Polymerization Catalysts ◽

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 ◽

Cited By ~ 2

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 ◽

Cited By ~ 51

Author(s):

Ellie L. Uzunova ◽

Hans Mikosch ◽

Georgi St. Nikolov

Keyword(s):

Electronic Structure ◽

Density Functional ◽

Functional Study ◽

Density Functional Study ◽

3D Elements

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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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