Insight into structural distribution of heterogeneous Ziegler–Natta catalyst from non-empirical structure determination

Temperature effect on propylene polymerization behavior over Ziegler-Natta catalyst with different cocatalyst systems

(2020) Thanyaporn Pongchan et al.   Materials Research Express

Revisiting the identity of δ-MgCl2: Part I. Structural disorder studied by synchrotron X-ray total scattering

(2020) Toru Wada et al.   JOURNAL OF CATALYSIS

Machine Learning-Aided Structure Determination for TiCl4–Capped MgCl2 Nanoplate of Heterogeneous Ziegler–Natta Catalyst

(2019) Gentoku Takasao et al.   ACS Catalysis

Development of Large-Scale Stopped-Flow Technique and its Application in Elucidation of Initial Ziegler–Natta Olefin Polymerization Kinetics

(2019) Ashutosh Thakur et al.   Polymers

Truxillic and truxinic acid-based, bio-derived diesters as potent internal donor in Ziegler-Natta catalyst for propylene polymerization

(2018) Akanksha Matta et al.   APPLIED CATALYSIS A-GENERAL

High-precision Molecular Modelling for Ziegler-Natta Catalysts

(2018) Toshiaki Taniike et al.   JOURNAL OF THE JAPAN PETROLEUM INSTITUTE

Computational modeling of heterogeneous Ziegler-Natta catalysts for olefins polymerization

(2018) Naeimeh Bahri-Laleh et al.   PROGRESS IN POLYMER SCIENCE

Chemisorption-Induced Activation of MgCl2 Film as Realistic Route for Heterogeneous Ziegler–Natta Surfaces under Ultrahigh Vacuum

(2017) Toshiaki Taniike et al.   Journal of Physical Chemistry C

New AuN (N = 27–30) Lowest Energy Clusters Obtained by Means of an Improved DFT–Genetic Algorithm Methodology

(2017) Jorge A. Vargas et al.   Journal of Physical Chemistry C

Beyond Ordered Materials: Understanding Catalytic Sites on Amorphous Solids

(2017) Bryan R. Goldsmith et al.   ACS Catalysis

DFT global optimisation of gas-phase and MgO-supported sub-nanometre AuPd clusters

(2016) Heider A. Hussein et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Surface Investigation and Morphological Analysis of Structurally Disordered MgCl2 and MgCl2/TiCl4 Ziegler–Natta Catalysts

(2016) Maddalena D’Amore et al.   ACS Catalysis

Effect of Siloxane Ring Strain and Cation Charge Density on the Formation of Coordinately Unsaturated Metal Sites on Silica: Insights from Density Functional Theory (DFT) Studies

(2015) Ujjal Das et al.   ACS Catalysis

CO- and NO-Induced Disintegration and Redispersion of Three-Way Catalysts Rhodium, Palladium, and Platinum: An ab Initio Thermodynamics Study

(2014) Bryan R. Goldsmith et al.   Journal of Physical Chemistry C

Investigating Phthalate and 1,3-Diether Coverage and Dynamics on the (104) and (110) Surfaces of MgCl2-Supported Ziegler–Natta Catalysts

(2014) Raffaele Credendino et al.   Journal of Physical Chemistry C

Structure-Performance Relationship for Dialkyldimethoxysilane as an External Donor in Stopped-Flow Propylene Polymerization Using a Ziegler-Natta Catalyst

(2014) Supawadee Poonpong et al.   MACROMOLECULAR CHEMISTRY AND PHYSICS

PdnAg(4−n) and PdnPt(4−n) clusters on MgO (100): a density functional surface genetic algorithm investigation

(2014) Christopher J. Heard et al.   Nanoscale

Multilateral characterization for industrial Ziegler–Natta catalysts toward elucidation of structure–performance relationship

(2013) Toshiaki Taniike et al.   JOURNAL OF CATALYSIS

Coadsorption model for first-principle description of roles of donors in heterogeneous Ziegler–Natta propylene polymerization

(2012) Toshiaki Taniike et al.   JOURNAL OF CATALYSIS

Size Dependence of the Adsorption Energy of CO on Metal Nanoparticles: A DFT Search for the Minimum Value

(2012) Ilya V. Yudanov et al.   NANO LETTERS

A periodic hybrid DFT approach (including dispersion) to MgCl2-supported Ziegler–Natta catalysts – 1: TiCl4 adsorption on MgCl2 crystal surfaces

(2011) Maddalena D’Amore et al.   JOURNAL OF CATALYSIS

Thermodynamics of Formation of Uncovered and Dimethyl Ether-Covered MgCl2 Crystallites. Consequences in the Structure of Ziegler–Natta Heterogeneous Catalysts

(2011) Raffaele Credendino et al.   Journal of Physical Chemistry C

DFT-Based Study on Oxygen Adsorption on Defective Graphene-Supported Pt Nanoparticles

(2011) Dong-Hee Lim et al.   Journal of Physical Chemistry C

Moving up and down the Titanium Oxidation State in Ziegler−Natta Catalysis

(2011) Naeimeh Bahri-Laleh et al.   MACROMOLECULES

Overcoming Limitation in the Design of Selective Solid Catalysts by Manipulating Shape and Size of Catalytic Particles: Epoxidation Reactions on Silver

(2010) Suljo Linic et al.   ChemCatChem

Structures of [Ag7(SR)4]−and [Ag7(DMSA)4]−

(2010) Hongjun Xiang et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Evidence for a chromasiloxane ring size effect in Phillips (Cr/SiO2) polymerization catalysts

(2009) Cori A. Demmelmaier et al.   JOURNAL OF CATALYSIS

Active Site Formation in MgCl2−Supported Ziegler−Natta Catalysts. A Density Functional Theory Study

(2009) Denis V. Stukalov et al.   Journal of Physical Chemistry C

Adsorption Species of Ethyl Benzoate in MgCl2-Supported Ziegler−Natta Catalysts. A Density Functional Theory Study

(2009) Denis V. Stukalov et al.   Journal of Physical Chemistry C

A Density Functional Study on the Influence of the Molecular Flexibility of Donors on the Insertion Barrier and Stereoselectivity of Ziegler-Natta Propylene Polymerization

(2009) Toshiaki Taniike et al.   MACROMOLECULAR CHEMISTRY AND PHYSICS

Propylene Polymerization Performance of Isolated and Aggregated Ti Species Studied Using a Well-Designed TiCl3/MgCl2Ziegler-Natta Model Catalyst

(2009) Toru Wada et al.   MACROMOLECULAR RAPID COMMUNICATIONS

The role of electron donors on lateral surfaces of MgCl2-supported Ziegler–Natta catalysts: Observation by AFM and SEM

(2008) A ANDONI et al.   JOURNAL OF CATALYSIS

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

(2008) Vincenzo Busico et al.   Journal of Physical Chemistry C

Reductive Formation of Isospecific Ti Dinuclear Species on a MgCl2(110) Surface in Heterogeneous Ziegler-Natta Catalysts

(2008) Toshiaki Taniike et al.   MACROMOLECULAR RAPID COMMUNICATIONS