Density Functional Theory Study on the Aggregation and Dissociation Behavior of Lithium Chloride in THF and Its Interaction with the Active Centers of the Anionic Polymerization of Methyl Methacrylate and Styrene

Alexander V. Yakimansky; Axel H. E. Müller; Marcel Van Beylen

doi:10.1021/ma9921549

Density Functional Theory Study on the Aggregation and Dissociation Behavior of Lithium Chloride in THF and Its Interaction with the Active Centers of the Anionic Polymerization of Methyl Methacrylate and Styrene

Macromolecules ◽

10.1021/ma9921549 ◽

2000 ◽

Vol 33 (15) ◽

pp. 5686-5692 ◽

Cited By ~ 25

Author(s):

Alexander V. Yakimansky ◽

Axel H. E. Müller ◽

Marcel Van Beylen

Keyword(s):

Density Functional Theory ◽

Methyl Methacrylate ◽

Lithium Chloride ◽

Anionic Polymerization ◽

Density Functional ◽

Density Functional Theory Study ◽

Active Centers ◽

Functional Theory

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Density Functional Theory Study of Cu-ZSM-5-Catalyzed C–H Bond Activation: The Importance of Active Centers

The Journal of Physical Chemistry C ◽

10.1021/acs.jpcc.8b08137 ◽

2018 ◽

Vol 122 (50) ◽

pp. 28645-28651 ◽

Cited By ~ 2

Author(s):

Xin Liu ◽

Jie Zhang ◽

Chongpin Huang ◽

Xiuliang Sun

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Bond Activation ◽

Density Functional Theory Study ◽

Active Centers ◽

Functional Theory

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Reactions of fullerene C 60 with methyl methacrylate radicals: A density functional theory study

International Journal of Quantum Chemistry ◽

10.1002/qua.26335 ◽

2020 ◽

Vol 120 (18) ◽

Author(s):

Diana R. Diniakhmetova ◽

Anna K. Friesen ◽

Sergey V. Kolesov

Keyword(s):

Density Functional Theory ◽

Methyl Methacrylate ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory

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Quantum-Chemical (Density Functional Theory) Study of Lithium 2-Methoxyethoxide, Methyl α-Lithioisobutyrate, and Their Mixed Aggregates as Models of the Active Center in the Anionic Polymerization of Methacrylates

Macromolecules ◽

10.1021/ma981514+ ◽

1999 ◽

Vol 32 (6) ◽

pp. 1731-1736 ◽

Cited By ~ 9

Author(s):

Alexander V. Yakimansky ◽

Axel H. E. Müller

Keyword(s):

Density Functional Theory ◽

Active Center ◽

Anionic Polymerization ◽

Quantum Chemical ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory ◽

Mixed Aggregates

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A density functional theory study of the regio- and stereoselectivity of the 1,3-dipolar cycloaddition of C-methyl substituted pyrazinium-3-olates with methyl acrylate and methyl methacrylate

Computational and Theoretical Chemistry ◽

10.1016/j.comptc.2013.09.029 ◽

2013 ◽

Vol 1025 ◽

pp. 58-66 ◽

Cited By ~ 5

Author(s):

Lydia Rhyman ◽

Ponnadurai Ramasami ◽

John A. Joule ◽

Luis R. Domingo

Keyword(s):

Density Functional Theory ◽

Methyl Methacrylate ◽

Methyl Acrylate ◽

Density Functional ◽

Dipolar Cycloaddition ◽

Density Functional Theory Study ◽

Functional Theory

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Methylene imino radical H2CN : matrix isolation ESR and density functional theory study

Molecular Physics ◽

10.1080/002689799165107 ◽

1999 ◽

Vol 96 (6) ◽

pp. 993-1000 ◽

Cited By ~ 2

Author(s):

PAUL H. KASAI

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Matrix Isolation ◽

Density Functional Theory Study ◽

Functional Theory

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A Density Functional Theory Study of 2-Chlorothiophene Adsorption on Rh(111) Surface

CHINESE JOURNAL OF CATALYSIS (CHINESE VERSION) ◽

10.3724/sp.j.1088.2010.90513 ◽

2010 ◽

Vol 31 (1) ◽

pp. 49-55

Author(s):

Zhanhong CHEN ◽

Kaining DING ◽

Xianglan XU ◽

Junqian LI

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory

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Density Functional Theory Study on the Relationship between Polymerization Activity and Substituent Electronic Effect of Polyolefin Catalysts

CHINESE JOURNAL OF CATALYSIS (CHINESE VERSION) ◽

10.3724/sp.j.1088.2010.00126 ◽

2010 ◽

Vol 31 (9) ◽

pp. 1127-1131

Author(s):

Huayi LI ◽

Liaoyun ZHANG ◽

Youliang HU

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Electronic Effect ◽

Density Functional Theory Study ◽

Functional Theory ◽

The Relationship

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Density Functional Theory Study of the Gas Phase and Surface Reaction Kinetics for the MOVPE Growth of GaAs1–yBiy

The Journal of Physical Chemistry A ◽

10.1021/acs.jpca.9b10399 ◽

2020 ◽

Vol 124 (9) ◽

pp. 1682-1697

Author(s):

Ryan C. Lucas ◽

Dane Morgan ◽

Thomas F. Kuech

Keyword(s):

Density Functional Theory ◽

Reaction Kinetics ◽

Gas Phase ◽

Density Functional ◽

Surface Reaction ◽

Density Functional Theory Study ◽

Functional Theory ◽

Movpe Growth ◽

Surface Reaction Kinetics

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Structural Stability of Ruthenium Nanoparticles: A Density Functional Theory Study

The Journal of Physical Chemistry C ◽

10.1021/acs.jpcc.7b08672 ◽

2017 ◽

Vol 121 (49) ◽

pp. 27445-27452 ◽

Cited By ~ 21

Author(s):

Yusuke Nanba ◽

Takayoshi Ishimoto ◽

Michihisa Koyama

Keyword(s):

Density Functional Theory ◽

Structural Stability ◽

Density Functional ◽

Density Functional Theory Study ◽

Ruthenium Nanoparticles ◽

Functional Theory

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Density Functional Theory Study on Electronic and Magnetic Properties of Mn‐Doped (MgO)n (n=2–10) Clusters

Chinese Journal of Chemical Physics ◽

10.1063/1674-0068/26/01/35-42 ◽

2013 ◽

Vol 26 (1) ◽

pp. 35-42 ◽

Cited By ~ 10

Author(s):

Peng Wang ◽

Ming‐xia Yang ◽

Sheng‐li Zhang ◽

Shi‐ping Huang ◽

Hui‐ping Tian

Keyword(s):

Density Functional Theory ◽

Magnetic Properties ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory ◽

Electronic And Magnetic Properties ◽

Mn Doped

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