-
1
-
-
0346688861
-
The discovery and progress of MgCl2-supported TiCl4 catalysts
-
Kashiwa, N. The discovery and progress of MgCl2-supported TiCl4 catalysts. J. Polym. Sci., Part A: Polym. Chem. 2004, 42, 1-8, 10.1002/pola.10962
-
(2004)
J. Polym. Sci., Part A: Polym. Chem.
, vol.42
, pp. 1-8
-
-
Kashiwa, N.1
-
2
-
-
0001347769
-
2-Supported Titanium Catalysts on Olefin Polymerization
-
2-Supported Titanium Catalysts on Olefin Polymerization. Makromol. Chem. 1984, 185, 1133-1138, 10.1002/macp.1984.021850606
-
(1984)
Makromol. Chem.
, vol.185
, pp. 1133-1138
-
-
Kashiwa, N.1
Yoshitake, J.2
-
3
-
-
0004242228
-
-
First Edition; John Wiley & Sons: Hoboken, NJ
-
Sita, L. R. In Synthesis of Polymers: New Structures and Methods, First Edition; Schlüter, A. D.; Hawker, C. J.; Sakamoto, J., Eds.; John Wiley & Sons: Hoboken, NJ, 2012; pp 25-66.
-
(2012)
Synthesis of Polymers: New Structures and Methods
, pp. 25-66
-
-
Sita, L.R.1
Schlüter, A.D.2
Hawker, C.J.3
Sakamoto, J.4
-
4
-
-
43549125972
-
Ziegler-Natta Catalysts for Propylene Polymerization: Chemistry of Reactions Leading to the Formation of Active Centers
-
Kissin, Y. V.; Liu, X.; Pollick, D. J.; Brungard, N. L.; Chang, M. Ziegler-Natta Catalysts for Propylene Polymerization: Chemistry of Reactions Leading to the Formation of Active Centers. J. Mol. Catal. A: Chem. 2008, 287, 45-52, 10.1016/j.molcata.2008.02.026
-
(2008)
J. Mol. Catal. A: Chem.
, vol.287
, pp. 45-52
-
-
Kissin, Y.V.1
Liu, X.2
Pollick, D.J.3
Brungard, N.L.4
Chang, M.5
-
5
-
-
84984889753
-
4 Ziegler-Natta Catalysts
-
4 Ziegler-Natta Catalysts. ACS Catal. 2016, 6, 5786-5796, 10.1021/acscatal.6b00871
-
(2016)
ACS Catal.
, vol.6
, pp. 5786-5796
-
-
D'Amore, M.1
Thushara, K.S.2
Piovano, A.3
Causà, M.4
Bordiga, S.5
Groppo, E.6
-
6
-
-
0029325201
-
Preparation of a Model Ziegler-Natta Catalyst Surface Science Studies of Magnesium Chloride Thin Film Deposited on Gold and Its Interaction with Titanium Chloride
-
Magni, E.; Somorjai, G. A. Preparation of a Model Ziegler-Natta Catalyst Surface Science Studies of Magnesium Chloride Thin Film Deposited on Gold and Its Interaction with Titanium Chloride. Appl. Surf. Sci. 1995, 89, 187-195, 10.1016/0169-4332(95)00033-x
-
(1995)
Appl. Surf. Sci.
, vol.89
, pp. 187-195
-
-
Magni, E.1
Somorjai, G.A.2
-
7
-
-
85026503079
-
Alkylation of Titanium Tetrachloride on Magnesium Dichloride in the Presence of Lewis Bases
-
Linnolahti, M.; Pakkanen, T. A.; Bazhenov, A. S.; Denifl, P.; Leinonen, T.; Pakkanen, A. Alkylation of Titanium Tetrachloride on Magnesium Dichloride in the Presence of Lewis Bases. J. Catal. 2017, 353, 89-98, 10.1016/j.jcat.2017.07.007
-
(2017)
J. Catal.
, vol.353
, pp. 89-98
-
-
Linnolahti, M.1
Pakkanen, T.A.2
Bazhenov, A.S.3
Denifl, P.4
Leinonen, T.5
Pakkanen, A.6
-
8
-
-
1842764743
-
Structural Characteristics of Small Magnesium Dichloride Clusters: A Systematic Theoretical Study
-
Luhtanen, T. N. P.; Linnolahti, M.; Laine, A.; Pakkanen, T. A. Structural Characteristics of Small Magnesium Dichloride Clusters: A Systematic Theoretical Study. J. Phys. Chem. B 2004, 108, 3989-3995, 10.1021/jp030464u
-
(2004)
J. Phys. Chem. B
, vol.108
, pp. 3989-3995
-
-
Luhtanen, T.N.P.1
Linnolahti, M.2
Laine, A.3
Pakkanen, T.A.4
-
10
-
-
0001730587
-
Quantum Mechanical Study of Ti/MgCl2-Supported Ziegler-Natta Catalysts
-
Lin, J.; Catlow, C. R. A. Quantum Mechanical Study of Ti/MgCl2-Supported Ziegler-Natta Catalysts. J. Catal. 1995, 157, 145-152, 10.1006/jcat.1995.1275
-
(1995)
J. Catal.
, vol.157
, pp. 145-152
-
-
Lin, J.1
Catlow, C.R.A.2
-
11
-
-
0034314511
-
Geometry and Stability of Titanium Chloride Species Adsorbed on the (100) and (110) Cuts of the MgCl2Support of the Heterogeneous Ziegler-Natta Catalysts
-
Monaco, G.; Toto, M.; Guerra, G.; Corradini, P.; Cavallo, L. Geometry and Stability of Titanium Chloride Species Adsorbed on the (100) and (110) Cuts of the MgCl2Support of the Heterogeneous Ziegler-Natta Catalysts. Macromolecules 2000, 33, 8953-8962, 10.1021/ma000988h
-
(2000)
Macromolecules
, vol.33
, pp. 8953-8962
-
-
Monaco, G.1
Toto, M.2
Guerra, G.3
Corradini, P.4
Cavallo, L.5
-
12
-
-
0030851083
-
The Co-adsorption of tetramethylpiperidine and TiCl4 on β-MgCl2. A theoretical study of a Ziegler-Natta pre-catalyst
-
Ferreira, M. L.; Castellani, N. J.; Damiani, D. E.; Juan, A. The Co-adsorption of tetramethylpiperidine and TiCl4 on β-MgCl2. A theoretical study of a Ziegler-Natta pre-catalyst. J. Mol. Catal. A: Chem. 1997, 122, 25-37, 10.1016/s1381-1169(97)00005-8
-
(1997)
J. Mol. Catal. A: Chem.
, vol.122
, pp. 25-37
-
-
Ferreira, M.L.1
Castellani, N.J.2
Damiani, D.E.3
Juan, A.4
-
13
-
-
0030963045
-
Theoretical investigations on Ziegler-Natta catalysis: Alkylation of the TiCl4 catalyst
-
Puhakka, E.; Pakkanen, T. T.; Pakkanen, T. A. Theoretical investigations on Ziegler-Natta catalysis: Alkylation of the TiCl4 catalyst. J. Mol. Catal. A: Chem. 1997, 120, 143-147, 10.1016/s1381-1169(96)00433-5
-
(1997)
J. Mol. Catal. A: Chem.
, vol.120
, pp. 143-147
-
-
Puhakka, E.1
Pakkanen, T.T.2
Pakkanen, T.A.3
-
14
-
-
0041819768
-
Polymerization Properties of a Heterogeneous Ziegler-Natta Catalyst Modified by a Base: A Theoretical Study
-
Seth, M.; Ziegler, T. Polymerization Properties of a Heterogeneous Ziegler-Natta Catalyst Modified by a Base: A Theoretical Study. Macromolecules 2003, 36, 6613-6623, 10.1021/ma0301247
-
(2003)
Macromolecules
, vol.36
, pp. 6613-6623
-
-
Seth, M.1
Ziegler, T.2
-
15
-
-
38849103040
-
2-Supported Ziegler-Natta Catalysts
-
Wiley Online Library, Vol
-
2-Supported Ziegler-Natta Catalysts. Macromolecular Symposia; Wiley Online Library, 2007; Vol. 260, pp 98-106.
-
(2007)
Macromolecular Symposia
, vol.260
, pp. 98-106
-
-
Taniike, T.1
Terano, M.2
-
16
-
-
34147127390
-
Key Interactions in Heterogeneous Ziegler-Natta Catalytic Systems: Structure and Energetics of TiCl4-Lewis Base Complexes
-
Cavallo, L.; Del Piero, S.; Ducéré, J.-M.; Fedele, R.; Melchior, A.; Morini, G.; Piemontesi, F.; Tolazzi, M. Key Interactions in Heterogeneous Ziegler-Natta Catalytic Systems: Structure and Energetics of TiCl4-Lewis Base Complexes. J. Phys. Chem. C 2007, 111, 4412-4419, 10.1021/jp0678204
-
(2007)
J. Phys. Chem. C
, vol.111
, pp. 4412-4419
-
-
Cavallo, L.1
Del Piero, S.2
Ducéré, J.-M.3
Fedele, R.4
Melchior, A.5
Morini, G.6
Piemontesi, F.7
Tolazzi, M.8
-
17
-
-
73849122318
-
A Density Functional Study on the Influence of the Molecular Flexibility of Donors on the Insertion Barrier and Stereoselectivity of Ziegler-Natta Propylene Polymerization
-
Taniike, T.; Terano, M. A Density Functional Study on the Influence of the Molecular Flexibility of Donors on the Insertion Barrier and Stereoselectivity of Ziegler-Natta Propylene Polymerization. Macromol. Chem. Phys. 2009, 210, 2188-2193, 10.1002/macp.200900465
-
(2009)
Macromol. Chem. Phys.
, vol.210
, pp. 2188-2193
-
-
Taniike, T.1
Terano, M.2
-
18
-
-
84864946462
-
Coadsorption Model for First-Principle Description of Roles of Donors in Heterogeneous Ziegler-Natta Propylene Polymerization
-
Taniike, T.; Terano, M. Coadsorption Model for First-Principle Description of Roles of Donors in Heterogeneous Ziegler-Natta Propylene Polymerization. J. Catal. 2012, 293, 39-50, 10.1016/j.jcat.2012.06.001
-
(2012)
J. Catal.
, vol.293
, pp. 39-50
-
-
Taniike, T.1
Terano, M.2
-
19
-
-
84915755903
-
Modeling Coadsorption of Titanium Tetrachloride and Bidentate Electron Donors on Magnesium Dichloride Support Surfaces
-
Bazhenov, A. S.; Denifl, P.; Leinonen, T.; Pakkanen, A.; Linnolahti, M.; Pakkanen, T. A. Modeling Coadsorption of Titanium Tetrachloride and Bidentate Electron Donors on Magnesium Dichloride Support Surfaces. J. Phys. Chem. C 2014, 118, 27878-27883, 10.1021/jp508693h
-
(2014)
J. Phys. Chem. C
, vol.118
, pp. 27878-27883
-
-
Bazhenov, A.S.1
Denifl, P.2
Leinonen, T.3
Pakkanen, A.4
Linnolahti, M.5
Pakkanen, T.A.6
-
20
-
-
84969175308
-
Effect of Donors on the Activation Mechanism in Ziegler-Natta Catalysis: A Computational Study
-
Kumawat, J.; Gupta, V. K.; Vanka, K. Effect of Donors on the Activation Mechanism in Ziegler-Natta Catalysis: A Computational Study. ChemCatChem 2016, 8, 1809-1818, 10.1002/cctc.201600281
-
(2016)
ChemCatChem
, vol.8
, pp. 1809-1818
-
-
Kumawat, J.1
Gupta, V.K.2
Vanka, K.3
-
21
-
-
33846839252
-
Structure of MgCl2-TiCl4 complex in co-milled Ziegler-Natta catalyst precursors with different TiCl4 content: Experimental and theoretical vibrational spectra
-
Brambilla, L.; Zerbi, G.; Piemontesi, F.; Nascetti, S.; Morini, G. Structure of MgCl2-TiCl4 complex in co-milled Ziegler-Natta catalyst precursors with different TiCl4 content: Experimental and theoretical vibrational spectra. J. Mol. Catal. A: Chem. 2007, 263, 103-111, 10.1016/j.molcata.2006.08.001
-
(2007)
J. Mol. Catal. A: Chem.
, vol.263
, pp. 103-111
-
-
Brambilla, L.1
Zerbi, G.2
Piemontesi, F.3
Nascetti, S.4
Morini, G.5
-
22
-
-
80053916534
-
Thermodynamics of Formation of Uncovered and Dimethyl Ether-Covered MgCl2 Crystallites. Consequences in the Structure of Ziegler-Natta Heterogeneous Catalysts
-
Credendino, R.; Pater, J. T. M.; Correa, A.; Morini, G.; Cavallo, L. Thermodynamics of Formation of Uncovered and Dimethyl Ether-Covered MgCl2 Crystallites. Consequences in the Structure of Ziegler-Natta Heterogeneous Catalysts. J. Phys. Chem. C 2011, 115, 13322-13328, 10.1021/jp201410n
-
(2011)
J. Phys. Chem. C
, vol.115
, pp. 13322-13328
-
-
Credendino, R.1
Pater, J.T.M.2
Correa, A.3
Morini, G.4
Cavallo, L.5
-
23
-
-
78650514433
-
Microstructure Control of Magnesium Dichloride Crystallites by Electron Donors: The Effect of Methanol
-
Turunen, A.; Linnolahti, M.; Karttunen, V. A.; Pakkanen, T. A.; Denifl, P.; Leinonen, T. Microstructure Control of Magnesium Dichloride Crystallites by Electron Donors: The Effect of Methanol. J. Mol. Catal. A: Chem. 2011, 334, 103-107, 10.1016/j.molcata.2010.11.003
-
(2011)
J. Mol. Catal. A: Chem.
, vol.334
, pp. 103-107
-
-
Turunen, A.1
Linnolahti, M.2
Karttunen, V.A.3
Pakkanen, T.A.4
Denifl, P.5
Leinonen, T.6
-
24
-
-
73849126055
-
Active Site Formation in MgCl2-Supported Ziegler-Natta Catalysts. A Density Functional Theory Study
-
Stukalov, D. V.; Zakharov, V. A. Active Site Formation in MgCl2-Supported Ziegler-Natta Catalysts. A Density Functional Theory Study. J. Phys. Chem. C 2009, 113, 21376-21382, 10.1021/jp907812k
-
(2009)
J. Phys. Chem. C
, vol.113
, pp. 21376-21382
-
-
Stukalov, D.V.1
Zakharov, V.A.2
-
25
-
-
37549056214
-
Key Elements in the Structure and Function Relationship of the MgCl2/TiCl4/Lewis Base Ziegler-Natta Catalytic System
-
Correa, A.; Piemontesi, F.; Morini, G.; Cavallo, L. Key Elements in the Structure and Function Relationship of the MgCl2/TiCl4/Lewis Base Ziegler-Natta Catalytic System. Macromolecules 2007, 40, 9181-9189, 10.1021/ma071294c
-
(2007)
Macromolecules
, vol.40
, pp. 9181-9189
-
-
Correa, A.1
Piemontesi, F.2
Morini, G.3
Cavallo, L.4
-
26
-
-
84915825372
-
Formation of Isolated Titanium(III) Ions as Active Sites of Supported Titanium-Magnesium Catalysts for Polymerization of Olefins
-
Mikenas, T. B.; Koshevoy, E. I.; Zakharov, V. A.; Nikolaeva, M. I. Formation of Isolated Titanium(III) Ions as Active Sites of Supported Titanium-Magnesium Catalysts for Polymerization of Olefins. Macromol. Chem. Phys. 2014, 215, 1707-1720, 10.1002/macp.201400142
-
(2014)
Macromol. Chem. Phys.
, vol.215
, pp. 1707-1720
-
-
Mikenas, T.B.1
Koshevoy, E.I.2
Zakharov, V.A.3
Nikolaeva, M.I.4
-
27
-
-
39349098023
-
Periodic DFT and High-Resolution Magic-Angle-Spinning (HR-MAS)1H NMR Investigation of the Active Surfaces of MgCl2-Supported Ziegler-Natta Catalysts. the MgCl2Matrix
-
Busico, V.; Causà, M.; Cipullo, R.; Credendino, R.; Cutillo, F.; Friederichs, N.; Lamanna, R.; Segre, A.; Van Axel Castelli, V. Periodic DFT and High-Resolution Magic-Angle-Spinning (HR-MAS)1H NMR Investigation of the Active Surfaces of MgCl2-Supported Ziegler-Natta Catalysts. The MgCl2Matrix. J. Phys. Chem. C 2008, 112, 1081-1089, 10.1021/jp076679b
-
(2008)
J. Phys. Chem. C
, vol.112
, pp. 1081-1089
-
-
Busico, V.1
Causà, M.2
Cipullo, R.3
Credendino, R.4
Cutillo, F.5
Friederichs, N.6
Lamanna, R.7
Segre, A.8
Van Axel Castelli, V.9
-
28
-
-
0001118676
-
Polymerization of Olefins with High Activity Catalysts
-
Giannini, U. Polymerization of Olefins with High Activity Catalysts. Makromol. Chem., Suppl. 1981, 5, 216-229, 10.1002/macp.1981.020051981113
-
(1981)
Makromol. Chem., Suppl.
, vol.5
, pp. 216-229
-
-
Giannini, U.1
-
29
-
-
84925638314
-
Understanding the Chemical and Physical Transformations of a Ziegler-Natta Catalyst at the Initial Stage of Polymerization Kinetics: The Key Role of Alkylaluminum in the Catalyst Activation Process
-
Dwivedi, S.; Taniike, T.; Terano, M. Understanding the Chemical and Physical Transformations of a Ziegler-Natta Catalyst at the Initial Stage of Polymerization Kinetics: The Key Role of Alkylaluminum in the Catalyst Activation Process. Macromol. Chem. Phys. 2014, 215, 1698-1706, 10.1002/macp.201400124
-
(2014)
Macromol. Chem. Phys.
, vol.215
, pp. 1698-1706
-
-
Dwivedi, S.1
Taniike, T.2
Terano, M.3
-
30
-
-
0029345292
-
Theoretical investigations on Ziegler-Natta catalysis: Models for the interactions of the TiCl4 catalyst and the MgCl2 support
-
Puhakka, E.; Pakkanen, T. T.; Pakkanen, T. A. Theoretical investigations on Ziegler-Natta catalysis: models for the interactions of the TiCl4 catalyst and the MgCl2 support. Surf. Sci. 1995, 334, 289-294, 10.1016/0039-6028(95)00500-5
-
(1995)
Surf. Sci.
, vol.334
, pp. 289-294
-
-
Puhakka, E.1
Pakkanen, T.T.2
Pakkanen, T.A.3
-
31
-
-
0035840249
-
A theoretical investigation of the binding of TiCln to MgCl2
-
Martinsky, C.; Minot, C.; Ricart, J. M. A theoretical investigation of the binding of TiCln to MgCl2. Surf. Sci. 2001, 490, 237-250, 10.1016/s0039-6028(01)01373-5
-
(2001)
Surf. Sci.
, vol.490
, pp. 237-250
-
-
Martinsky, C.1
Minot, C.2
Ricart, J.M.3
-
32
-
-
0037167587
-
A Density Functional Embedded Cluster Study of Proposed Active Sites in Heterogeneous Ziegler-Natta Catalysts
-
Seth, M.; Margl, P. M.; Ziegler, T. A Density Functional Embedded Cluster Study of Proposed Active Sites in Heterogeneous Ziegler-Natta Catalysts. Macromolecules 2002, 35, 7815-7829, 10.1021/ma0204554
-
(2002)
Macromolecules
, vol.35
, pp. 7815-7829
-
-
Seth, M.1
Margl, P.M.2
Ziegler, T.3
-
33
-
-
34548529583
-
Theoretical investigation on the model active site for isotactic polypropylene in heterogeneous Ziegler-Natta catalyst: A density functional study
-
Lee, J. W.; Jo, W. H. Theoretical investigation on the model active site for isotactic polypropylene in heterogeneous Ziegler-Natta catalyst: A density functional study. J. Organomet. Chem. 2007, 692, 4639-4646, 10.1016/j.jorganchem.2007.05.017
-
(2007)
J. Organomet. Chem.
, vol.692
, pp. 4639-4646
-
-
Lee, J.W.1
Jo, W.H.2
-
34
-
-
54949130955
-
Reductive Formation of Isospecific Ti Dinuclear Species on a MgCl2(110) Surface in Heterogeneous Ziegler-Natta Catalysts
-
Taniike, T.; Terano, M. Reductive Formation of Isospecific Ti Dinuclear Species on a MgCl2(110) Surface in Heterogeneous Ziegler-Natta Catalysts. Macromol. Rapid Commun. 2008, 29, 1472-1476, 10.1002/marc.200800310
-
(2008)
Macromol. Rapid Commun.
, vol.29
, pp. 1472-1476
-
-
Taniike, T.1
Terano, M.2
-
35
-
-
70449449860
-
Surface Species of Titanium(IV) and Titanium(III) in MgCl2-Supported Ziegler-Natta Catalysts. A Periodic Density Functional Theory Study
-
Stukalov, D. V.; Zilberberg, I. L.; Zakharov, V. A. Surface Species of Titanium(IV) and Titanium(III) in MgCl2-Supported Ziegler-Natta Catalysts. A Periodic Density Functional Theory Study. Macromolecules 2009, 42, 8165-8171, 10.1021/ma901413b
-
(2009)
Macromolecules
, vol.42
, pp. 8165-8171
-
-
Stukalov, D.V.1
Zilberberg, I.L.2
Zakharov, V.A.3
-
36
-
-
84855611209
-
2 crystal Surfaces
-
2 crystal Surfaces. J. Catal. 2012, 286, 103-110, 10.1016/j.jcat.2011.10.018
-
(2012)
J. Catal.
, vol.286
, pp. 103-110
-
-
D'Amore, M.1
Credendino, R.2
Budzelaar, P.H.M.3
Causá, M.4
Busico, V.5
-
37
-
-
0032053479
-
First Principles Molecular Dynamics Study of Ziegler-Natta Heterogeneous Catalysis
-
Boero, M.; Parrinello, M.; Terakura, K. First Principles Molecular Dynamics Study of Ziegler-Natta Heterogeneous Catalysis. J. Am. Chem. Soc. 1998, 120, 2746-2752, 10.1021/ja972367i
-
(1998)
J. Am. Chem. Soc.
, vol.120
, pp. 2746-2752
-
-
Boero, M.1
Parrinello, M.2
Terakura, K.3
-
38
-
-
4644309364
-
Experimental and calculated vibrational spectra and structure of Ziegler-Natta catalyst precursor: 50/1 comilled MgCl2-TiCl4
-
Brambilla, L.; Zerbi, G.; Nascetti, S.; Piemontesi, F.; Morini, G. Experimental and calculated vibrational spectra and structure of Ziegler-Natta catalyst precursor: 50/1 comilled MgCl2-TiCl4. Macromol. Symp. 2004, 213, 287-302, 10.1002/masy.200450926
-
(2004)
Macromol. Symp.
, vol.213
, pp. 287-302
-
-
Brambilla, L.1
Zerbi, G.2
Nascetti, S.3
Piemontesi, F.4
Morini, G.5
-
39
-
-
84876258149
-
Adsorption of TiCl4 and electron donor on defective MgCl2 surfaces and propylene polymerization over Ziegler-Natta catalyst: A DFT study
-
Cheng, R.-h.; Luo, J.; Liu, Z.; Sun, J.-w.; Huang, W.-h.; Zhang, M.-g.; Yi, J.-j.; Liu, B.-p. Adsorption of TiCl4 and electron donor on defective MgCl2 surfaces and propylene polymerization over Ziegler-Natta catalyst: A DFT study. Chin. J. Polym. Sci. 2013, 31, 591-600, 10.1007/s10118-013-1252-5
-
(2013)
Chin. J. Polym. Sci.
, vol.31
, pp. 591-600
-
-
Cheng, R.-H.1
Luo, J.2
Liu, Z.3
Sun, J.-W.4
Huang, W.-H.5
Zhang, M.-G.6
Yi, J.-J.7
Liu, B.-P.8
-
40
-
-
84941039873
-
Toward a Unified Model Explaining Heterogeneous Ziegler-Natta Catalysis
-
Credendino, R.; Liguori, D.; Fan, Z.; Morini, G.; Cavallo, L. Toward a Unified Model Explaining Heterogeneous Ziegler-Natta Catalysis. ACS Catal. 2015, 5, 5431-5435, 10.1021/acscatal.5b01076
-
(2015)
ACS Catal.
, vol.5
, pp. 5431-5435
-
-
Credendino, R.1
Liguori, D.2
Fan, Z.3
Morini, G.4
Cavallo, L.5
-
41
-
-
84897678083
-
Modeling the Stabilization of Surface Defects by Donors in Ziegler-Natta Catalyst Support
-
Bazhenov, A.; Linnolahti, M.; Pakkanen, T. A.; Denifl, P.; Leinonen, T. Modeling the Stabilization of Surface Defects by Donors in Ziegler-Natta Catalyst Support. J. Phys. Chem. C 2014, 118, 4791-4796, 10.1021/jp412386u
-
(2014)
J. Phys. Chem. C
, vol.118
, pp. 4791-4796
-
-
Bazhenov, A.1
Linnolahti, M.2
Pakkanen, T.A.3
Denifl, P.4
Leinonen, T.5
-
42
-
-
84919752703
-
Stabilization of Magnesium Dichloride Surface Defects by Mono- and Bidentate Donors
-
Kuklin, M. S.; Bazhenov, A. S.; Denifl, P.; Leinonen, T.; Linnolahti, M.; Pakkanen, T. A. Stabilization of Magnesium Dichloride Surface Defects by Mono- And Bidentate Donors. Surf. Sci. 2015, 635, 5-10, 10.1016/j.susc.2014.11.026
-
(2015)
Surf. Sci.
, vol.635
, pp. 5-10
-
-
Kuklin, M.S.1
Bazhenov, A.S.2
Denifl, P.3
Leinonen, T.4
Linnolahti, M.5
Pakkanen, T.A.6
-
43
-
-
0037007783
-
Structure and Chemical Activity of Point Defects on MgCl2(001) Surface
-
Costuas, K.; Parrinello, M. Structure and Chemical Activity of Point Defects on MgCl2(001) Surface. J. Phys. Chem. B 2002, 106, 4477-4481, 10.1021/jp014216e
-
(2002)
J. Phys. Chem. B
, vol.106
, pp. 4477-4481
-
-
Costuas, K.1
Parrinello, M.2
-
44
-
-
43049141516
-
The M06 suite of density functionals for main group thermochemistry, thermochemical kinetics, noncovalent interactions, excited states, and transition elements: Two new functionals and systematic testing of four M06-class functionals and 12 other functionals
-
Zhao, Y.; Truhlar, D. G. The M06 suite of density functionals for main group thermochemistry, thermochemical kinetics, noncovalent interactions, excited states, and transition elements: two new functionals and systematic testing of four M06-class functionals and 12 other functionals. Theor. Chem. Acc. 2008, 120, 215-241, 10.1007/s00214-007-0310-x
-
(2008)
Theor. Chem. Acc.
, vol.120
, pp. 215-241
-
-
Zhao, Y.1
Truhlar, D.G.2
-
45
-
-
0039209924
-
Fully Optimized Contracted Gaussian Basis Sets of Triple Zeta Valence Quality for Atoms Li to Kr
-
Schäfer, A.; Huber, C.; Ahlrichs, R. Fully Optimized Contracted Gaussian Basis Sets of Triple Zeta Valence Quality for Atoms Li to Kr. J. Chem. Phys. 1994, 100, 5829-5835, 10.1063/1.467146
-
(1994)
J. Chem. Phys.
, vol.100
, pp. 5829-5835
-
-
Schäfer, A.1
Huber, C.2
Ahlrichs, R.3
-
46
-
-
4243943295
-
Generalized Gradient Approximation Made Simple
-
Perdew, J. P.; Burke, K.; Ernzerhof, M. Generalized Gradient Approximation Made Simple. Phys. Rev. Lett. 1996, 77, 3865-3868, 10.1103/physrevlett.77.3865
-
(1996)
Phys. Rev. Lett.
, vol.77
, pp. 3865-3868
-
-
Perdew, J.P.1
Burke, K.2
Ernzerhof, M.3
-
47
-
-
0001475454
-
Toward Reliable Density Functional Methods without Adjustable Parameters: The PBE0 Model
-
Adamo, C.; Barone, V. Toward Reliable Density Functional Methods without Adjustable Parameters: The PBE0 Model. J. Chem. Phys. 1999, 110, 6158-6170, 10.1063/1.478522
-
(1999)
J. Chem. Phys.
, vol.110
, pp. 6158-6170
-
-
Adamo, C.1
Barone, V.2
-
48
-
-
85031320131
-
Accurate experimental and theoretical enthalpies of association of TiCl4 with typical Lewis bases used in heterogeneous Ziegler-Natta catalysis
-
Credendino, R.; Minenkov, Y.; Liguori, D.; Piemontesi, F.; Melchior, A.; Morini, G.; Tolazzi, M.; Cavallo, L. Accurate experimental and theoretical enthalpies of association of TiCl4 with typical Lewis bases used in heterogeneous Ziegler-Natta catalysis. Phys. Chem. Chem. Phys. 2017, 19, 26996-27006, 10.1039/c7cp04047d
-
(2017)
Phys. Chem. Chem. Phys.
, vol.19
, pp. 26996-27006
-
-
Credendino, R.1
Minenkov, Y.2
Liguori, D.3
Piemontesi, F.4
Melchior, A.5
Morini, G.6
Tolazzi, M.7
Cavallo, L.8
-
49
-
-
3242808901
-
Catalytic Oligomerization of Ethylene to Higher Linear α-Olefins Promoted by the Cationic Group 4 [(n5-Cp-(CMe2-bridge)-Ph)MII(ethylene)2]+(M = Ti, Zr, Hf) Active Catalysts: A Density Functional Investigation of the Influence of the Metal on the Catalytic Activity and Selectivity
-
Tobisch, S.; Ziegler, T. Catalytic Oligomerization of Ethylene to Higher Linear α-Olefins Promoted by the Cationic Group 4 [(n5-Cp-(CMe2-bridge)-Ph)MII(ethylene)2]+(M = Ti, Zr, Hf) Active Catalysts: A Density Functional Investigation of the Influence of the Metal on the Catalytic Activity and Selectivity. J. Am. Chem. Soc. 2004, 126, 9059-9071, 10.1021/ja048861l
-
(2004)
J. Am. Chem. Soc.
, vol.126
, pp. 9059-9071
-
-
Tobisch, S.1
Ziegler, T.2
-
50
-
-
84966341034
-
Role(s) of TMA in polymerization
-
Ehm, C.; Cipullo, R.; Budzelaar, P. H. M.; Busico, V. Role(s) of TMA in polymerization. Dalton Trans. 2016, 45, 6847-6855, 10.1039/c5dt04895h
-
(2016)
Dalton Trans.
, vol.45
, pp. 6847-6855
-
-
Ehm, C.1
Cipullo, R.2
Budzelaar, P.H.M.3
Busico, V.4
-
51
-
-
85019152223
-
Accurate Prediction of Copolymerization Statistics in Molecular Olefin Polymerization Catalysis: The Role of Entropic, Electronic, and Steric Effects in Catalyst Comonomer Affinity
-
Zaccaria, F.; Ehm, C.; Budzelaar, P. H. M.; Busico, V. Accurate Prediction of Copolymerization Statistics in Molecular Olefin Polymerization Catalysis: The Role of Entropic, Electronic, and Steric Effects in Catalyst Comonomer Affinity. ACS Catal. 2017, 7, 1512-1519, 10.1021/acscatal.6b03458
-
(2017)
ACS Catal.
, vol.7
, pp. 1512-1519
-
-
Zaccaria, F.1
Ehm, C.2
Budzelaar, P.H.M.3
Busico, V.4
-
52
-
-
85021791415
-
Backbone Rearrangement during Olefin Capture as the Rate Limiting Step in Molecular Olefin Polymerization Catalysis and Its Effect on Comonomer Affinity
-
Zaccaria, F.; Cipullo, R.; Budzelaar, P. H. M.; Busico, V.; Ehm, C. Backbone Rearrangement during Olefin Capture as the Rate Limiting Step in Molecular Olefin Polymerization Catalysis and Its Effect on Comonomer Affinity. J. Polym. Sci., Part A: Polym. Chem. 2017, 55, 2807-2814, 10.1002/pola.28685
-
(2017)
J. Polym. Sci., Part A: Polym. Chem.
, vol.55
, pp. 2807-2814
-
-
Zaccaria, F.1
Cipullo, R.2
Budzelaar, P.H.M.3
Busico, V.4
Ehm, C.5
-
53
-
-
85035356168
-
Formation, Structure, and Composition of Methylaluminoxane
-
Linnolahti, M.; Collins, S. Formation, Structure, and Composition of Methylaluminoxane. ChemPhysChem 2017, 18, 3369-3374, 10.1002/cphc.201700827
-
(2017)
ChemPhysChem
, vol.18
, pp. 3369-3374
-
-
Linnolahti, M.1
Collins, S.2
-
54
-
-
84856718723
-
In Situ ATR-FTIR Studies on MgCl2-Diisobutyl Phthalate Interactions in Thin Film Ziegler-Natta Catalysts
-
Cheruvathur, A. V.; Langner, E. H. G.; Niemantsverdriet, J. W.; Thüne, P. C. In Situ ATR-FTIR Studies on MgCl2-Diisobutyl Phthalate Interactions in Thin Film Ziegler-Natta Catalysts. Langmuir 2012, 28, 2643-2651, 10.1021/la203972k
-
(2012)
Langmuir
, vol.28
, pp. 2643-2651
-
-
Cheruvathur, A.V.1
Langner, E.H.G.2
Niemantsverdriet, J.W.3
Thüne, P.C.4
-
55
-
-
84881493794
-
A Single-Crystal Model for MgCl2-Electron Donor Support Materials: [Mg3Cl5(THF)4Bu]2 (Bu = n-Butyl)
-
Pirinen, S.; Koshevoy, I. O.; Denifl, P.; Pakkanen, T. T. A Single-Crystal Model for MgCl2-Electron Donor Support Materials: [Mg3Cl5(THF)4Bu]2 (Bu = n-Butyl). Organometallics 2013, 32, 4208-4213, 10.1021/om400407p
-
(2013)
Organometallics
, vol.32
, pp. 4208-4213
-
-
Pirinen, S.1
Koshevoy, I.O.2
Denifl, P.3
Pakkanen, T.T.4
-
56
-
-
84883561123
-
How Well Can DFT Reproduce Key Interactions in Ziegler-Natta Systems?
-
Correa, A.; Bahri-Laleh, N.; Cavallo, L. How Well Can DFT Reproduce Key Interactions in Ziegler-Natta Systems?. Macromol. Chem. Phys. 2013, 214, 1980-1989, 10.1002/macp.201300248
-
(2013)
Macromol. Chem. Phys.
, vol.214
, pp. 1980-1989
-
-
Correa, A.1
Bahri-Laleh, N.2
Cavallo, L.3
-
57
-
-
84907809401
-
Catalyst Activation and the Dimerization Energy of Alkylaluminium Compounds
-
Ehm, C.; Antinucci, G.; Budzelaar, P. H. M.; Busico, V. Catalyst Activation and the Dimerization Energy of Alkylaluminium Compounds. J. Organomet. Chem. 2014, 772-773, 161-171, 10.1016/j.jorganchem.2014.09.013
-
(2014)
J. Organomet. Chem.
, pp. 161-171
-
-
Ehm, C.1
Antinucci, G.2
Budzelaar, P.H.M.3
Busico, V.4
-
58
-
-
84908691418
-
Calculating Accurate Barriers for Olefin Insertion and Related Reactions
-
Ehm, C.; Budzelaar, P. H. M.; Busico, V. Calculating Accurate Barriers for Olefin Insertion and Related Reactions. J. Organomet. Chem. 2015, 775, 39-49, 10.1016/j.jorganchem.2014.10.019
-
(2015)
J. Organomet. Chem.
, vol.775
, pp. 39-49
-
-
Ehm, C.1
Budzelaar, P.H.M.2
Busico, V.3
-
59
-
-
84989847889
-
Methoxymagnesium chloride - Structure and interaction with electron donors: Experimental and computational study
-
Nissinen, V.; Linnolahti, M.; Pakkanen, T. T. Methoxymagnesium chloride-structure and interaction with electron donors: experimental and computational study. J. Phys. Chem. C 2016, 120, 21505-21511, 10.1021/acs.jpcc.6b06488
-
(2016)
J. Phys. Chem. C
, vol.120
, pp. 21505-21511
-
-
Nissinen, V.1
Linnolahti, M.2
Pakkanen, T.T.3
-
60
-
-
85032745987
-
Polyethylenimines: Multidentate Electron Donors for Ziegler-Natta Catalysts
-
Nissinen, V. H.; Linnolahti, M.; Bazhenov, A. S.; Pakkanen, T. T.; Pakkanen, T. A.; Denifl, P.; Leinonen, T.; Jayaratne, K.; Pakkanen, A. Polyethylenimines: Multidentate Electron Donors for Ziegler-Natta Catalysts. J. Phys. Chem. C 2017, 121, 23413-23421, 10.1021/acs.jpcc.7b05343
-
(2017)
J. Phys. Chem. C
, vol.121
, pp. 23413-23421
-
-
Nissinen, V.H.1
Linnolahti, M.2
Bazhenov, A.S.3
Pakkanen, T.T.4
Pakkanen, T.A.5
Denifl, P.6
Leinonen, T.7
Jayaratne, K.8
Pakkanen, A.9
|