成果/Result
- Phillips Cr/silica catalyst for ethylene polymerization被引量：171收藏
- 作者：Cheng, Ruihua Liu, Zhen Zhong, Lei He, Xuelian Qiu, Pengyuan Terano, Minoru Eisen, Moris S. Scott, Susannah L. Liu, Boping
- 机构： State Key Laboratory of Chemical Engineering; School of Materials Science; Schulich Faculty of Chemistry; Department of Chemical Engineering
- 来源：Advances in Polymer Science 2013
- 关键词：Catalysts - Ethylene - Molecular modeling - Polymerization - Spectroscopic analysis
- Direct Arylation of α-Amino C(sp3)-H Bonds by Convergent Paired Electrolysis被引量：132收藏
- 作者：Ma, Yueyue Yao, Xiantong Zhang, Lei Ni, Pufan Cheng, Ruihua Ye, Jinxing
- 机构：East China Univ Sci & Technol;East China Univ Sci & Technol
- 来源：ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 2019
- 关键词：arylation cross-coupling C-H activation electrocatalysis tertiary amines
- Theoretical Exploration of Mechanism and Ligand Effects of Asymmetric Hydrogenation of β-Amino Ketone Catalyzed by an Iridium-PNN Catalyst被引量：59收藏
- 作者：Xiong, Yan Liu, Chengyu Zhang, Lei Wang, Xin Yang, Jiaxin Liu, Zhen Ye, Jinxing Cheng, Ruihua
- 机构： School of Chemical Engineering; Engineering Research Centre of Pharmaceutical Process Chemistry; School of Biomedical and Pharmaceutical Sciences
- 来源：Organometallics 2023
- 关键词：Amides - Amines - Binding energy - Catalysts - Chemical bonds - Density functional theory - Enantioselectivity - Iridium - Ketones - Ligands - Phosphorus compounds - Scaffolds - Sodium compounds
- New strategies for synthesis of amino-functionalized poly(propylene carbonate) over SalenCo(III)Cl catalyst被引量：59收藏
- 作者：Tong, Yutao Cheng, Ruihua Yu, Lingling Liu, Boping
- 机构： College of Chemical Engineering; College of Materials and Energy
- 来源：Journal of Polymer Science 2020
- 关键词：Catalysts - Carbonation - Monomers - Propylene - Hydrophilicity
- Mechanism for alternating copolymerization of CO2 and propylene oxide in diethylzinc-water catalytic system: A DFT study被引量：57收藏
- 作者：Pan, Xing Liu, Zhen Cheng, Ruihua Yang, Yun Zhong, Lei He, Xuelian Liu, Boping
- 机构： State Key Laboratory of Chemical Engineering
- 来源：Journal of CO2 Utilization 2013
- 关键词：II-VI semiconductors - Copolymerization - Density functional theory - Gibbs free energy - Propylene - Zinc oxide - Carbonation - Waterworks - Free energy - Energy barriers
- High-resolution spectroscopy (XPS, 1H MAS solid-state NMR) and DFT investigations into Ti-modified Phillips CrOx/SiO2 catalysts被引量：54收藏
- 作者：Cheng, Ruihua Xu, Chen Liu, Zhen Dong, Qi He, Xuelian Fang, Yuwei Terano, Minoru Hu, Yatao Pullukat, Thomas J. Liu, Boping
- 机构： State Key Laboratory of Chemical Engineering; School of Materials Science; Research and Development Center
- 来源：Journal of Catalysis 2010
- 关键词：Density functional theory - Spectroscopic analysis - Catalysts - Ethylene - Photons - Light polarization - Molecular wEIght distribution - Nuclear magnetic resonance spectroscopy - Photoelectrons - Polymerization - Chromates
- Theoretical investigation of mechanism on nickel-catalyzed electrochemical cross-coupling of aryl bromides and arylamines被引量：54收藏
- 作者：Wang, Xin Ma, Yueyue Ye, Jinxing Liu, Zhen Cheng, Ruihua
- 机构： School of Chemical Engineering; School of Biomedical and Pharmaceutical Sciences
- 来源：Catalysis Science and Technology 2022
- 关键词：Catalyst activity - Chemical bonds - Computation theory - Density functional theory - Metal halides - Molecular orbitals - Nickel compounds
- A novel SiO2-supported inorganic and organic hybrid chromium-based catalyst for ethylene polymerization被引量：53收藏
- 作者：Zhang, Shiliang Dong, Qi Cheng, Ruihua He, Xuelian Wang, Quntao Tang, Yan Yu, Yongling Xie, Kan Da, Jianwen Liu, Boping
- 机构： State Key Laboratory of Chemical Engineering; Research Institute of Qilu Branch Co.
- 来源：Journal of Molecular Catalysis A: Chemical 2012
- 关键词：Catalyst supports - Calcination - Ethylene - Catalyst activity - Silica - Chromates - Chromium
- DFT and CASPT2 study on the mechanism of ethylene dimerization over Cr(II)OH+ cation被引量：52收藏
- 作者：Liu, Zhen Zhong, Lei Yang, Yun Cheng, Ruihua Liu, Boping
- 机构： State Key Laboratory of Chemical Engineering
- 来源：Journal of Physical Chemistry A 2011
- 关键词：Ethylene - Molecular physics - Reaction intermediates - Perturbation techniques - Positive ions - Potential energy - Density functional theory - Dimerization - Rate constants - Chromium compounds - Quantum chemistry
- Role of 1,2-Dimethoxyethane in the Transformation from Ethylene Polymerization to Trimerization Using Chromium Tris(2-ethylhexanoate)-Based Catalyst System: A DFT Study被引量：50收藏
- 作者：Qi, Yuan Dong, Qi Zhong, Lei Liu, Zhen Qiu, Pengyuan Cheng, Ruihua He, Xuelian Vanderbilt, Jeffrey Liu, Boping
- 机构：E China Univ Sci & Technol;Westlake Chem Corp
- 来源：ORGANOMETALLICS 2010
- 关键词：Coordination reactions - Chromium compounds - Metals - Dimerization - Density functional theory - Ethylene
- Reprint of: Effect of Mo-modification over Phillips CrOx/SiO2 catalyst for ethylene polymerization被引量：48收藏
- 作者：Ma, Yue Cheng, Ruihua Li, Jiajun Zhong, Lei Liu, Zhen He, Xuelian Liu, Boping
- 机构： State Key Lab of Chemical Engineering
- 来源：Journal of Organometallic Chemistry 2015
- 关键词：Molecular wEIght distribution - Catalyst activity - Silica - Polyethylenes - Chains - Copolymerization - Ethylene
- Experimental and theoretical studies on ethylene polymerization using SiO2-supported silyl chromate type catalysts prepared by a green method被引量：45收藏
- 作者：Li, Xiaofang Cheng, Ruihua Luo, Jun Dong, Qi He, Xuelian Li, Liuzhong Yu, Yongling Da, Jianwen Liu, Boping
- 机构： State Key Laboratory of Chemical Engineering; Research Institute of Qilu Branch Co.
- 来源：Journal of Molecular Catalysis A: Chemical 2010
- 关键词：Catalyst activity - Ethylene - Silica - Chromates - Polymerization - Catalyst supports - Chlorine compounds - Chromium
- Spin Surface Crossing between Chromium(I)/Sextet and Chromium(III)/Quartet without Deprotonation in SNS-Cr Mediated Ethylene Trimerization被引量：42收藏
- 作者：Yang, Yun Liu, Zhen Zhong, Lei Qiu, Pengyuan Dong, Qi Cheng, Ruihua Vanderbilt, Jeffrey Liu, Boping
- 机构：E China Univ Sci & Technol;Westlake Chem Corp
- 来源：ORGANOMETALLICS 2011
- 关键词：Ethylene - Redox reactions - Free energy - Gibbs free energy - Density functional theory - Activation energy - Chromium compounds - Ground state
- A Novel SiO2-Supported Cr-V Bimetallic Catalyst Making Polyethylene and Ethylene/1-Hexene Copolymers with Bimodal Molecular WEIght Distribution被引量：39收藏
- 作者：Zhao, Ning Cheng, Ruihua He, Xuelian Liu, Zhen Liu, Boping
- 机构：E China Univ Sci & Technol
- 来源：MACROMOLECULAR CHEMISTRY AND PHYSICS 2014
- 关键词：copolymerization kinetics (polym.) novel Cr-V bimetallic catalysts short-chain branch distribution temperature rising elution fractionation successive self- nucleation/annealing (TREF plus SSA)
- DFT and PIO study of the influences of Mo valance state and surface hydroxyl on supported-MoOx catalysts for ethylene polymerization被引量：39收藏
- 作者：Cao, Xiaochun Cheng, Ruihua Liu, Zhen Wang, Lisong Dong, Qi He, Xuelian Liu, Boping
- 机构： State Key Laboratory of Chemical Engineering
- 来源：Journal of Molecular Catalysis A: Chemical 2010
- 关键词：Molybdenum - Silica - Ethylene - Density functional theory - Alumina - Catalyst supports - Molybdenum oxide - Polymerization - Aluminum oxide - Catalyst activity
- Mechanistic DFT Study on Ethylene Trimerization of Chromium Catalysts Supported by a Versatile Pyrrole Ligand System被引量：37收藏
- 作者：Yang, Yun Liu, Zhen Cheng, Ruihua He, Xuelian Liu, Boping
- 机构：E China Univ Sci & Technol;Eindhoven Univ Technol
- 来源：ORGANOMETALLICS 2014
- 关键词：Chromium - Ground state - Chlorine compounds - Ethylene - Chromium compounds - Catalysts
- ZnO/SiO2-modified rare-earth-metal ternary catalyst bearing quaternary ammonium salts for synthesis of high molecular wEIght poly(propylene carbonate)被引量：36收藏
- 作者：Cheng, Ruihua Zhou, Yujie Hou, Qiaoli Liu, Boping
- 机构： State Key Laboratory of Chemical Engineering
- 来源：Chinese Journal of Catalysis 2018
- 关键词：II-VI semiconductors - Molecular wEIght - Zinc oxide - Carbonation - Silica - Fluorine compounds - Polycarbonates - Propylene - Rare earths - Catalyst activity - Copolymerization - Negative ions
- Copolymerization of CO2 and propylene oxide using ZnGA/DMC composite catalyst for high molecular wEIght poly(propylene carbonate)被引量：33收藏
- 作者：Meng, Qingyang Cheng, Ruihua Li, Jiajia Wang, Tingting Liu, Boping
- 机构：State Key Lab Chem Engn;East China Univ Sci & Technol
- 来源：JOURNAL OF CO2 UTILIZATION 2016
- 关键词：Carbon dioxide Copolymerization ZnGA/DMC Composite catalyst Synergistic effects
- Short chain branches distribution characterization of ethylene/1-hexene copolymers by using TREF+13C-NMR and TREF+SC methods被引量：33收藏
- 作者：Zhang, Shiliang Zhao, Ning Wu, Yuxiang Dong, Qi Wang, Quntao Tang, Yan Yu, Yongling Da, Jianwen He, Xuelian Cheng, Ruihua Liu, Boping
- 机构： State Key Laboratory of Chemical Engineering; Research Institute of Qilu Branch Co.
- 来源：Macromolecular Symposia 2012
- 关键词：Chains - Silica - Chromates - Catalysts - High density polyethylenes
- Adsorption of TiCl4 and electron donor on defective MgCl2 surfaces and propylene polymerization over Ziegler-Natta catalyst: A DFT study被引量：30收藏
- 作者：Cheng, Rui-hua Luo, Jun Liu, Zhen Sun, Jing-wen Huang, Wei-huan Zhang, Ming-ge Yi, Jian-jun Liu, Bo-ping
- 机构：E China Univ Sci & Technol;China Natl Petr Corp
- 来源：CHINESE JOURNAL OF POLYMER SCIENCE 2013
- 关键词：Supported Ziegler-Natta catalyst Propylene polymerization Defective MgCl2 surfaces Electron donor Density functional theory
- Active Site Transformation During the Induction Period of Ethylene Polymerization over the Phillips CrOx/SiO2 Catalyst被引量：29收藏
- 作者：Zhong, Lei Liu, Zhen Cheng, Ruihua Tang, Siyang Qiu, Pengyuan He, Xuelian Terano, Minoru Liu, Boping
- 机构：E China Univ Sci & Technol;Japan Adv Inst Sci & Technol
- 来源：CHEMCATCHEM 2012
- 关键词：adsorption heterogeneous catalysis metathesis reaction mechanisms spin crossover
- Transition metal-free, visible-light-mediated construction of α,β-diamino esters via decarboxylative radical addition at room temperature被引量：27收藏
- 作者：Wu, Guibing Wang, Jingwen Liu, Chengyu Sun, Maolin Zhang, Lei Ma, Yueyue Cheng, Ruihua Ye, Jinxing
- 机构：East China Univ Sci & Technol;East China Univ Sci & Technol
- 来源：ORGANIC CHEMISTRY FRONTIERS 2019
- 关键词：Transition metals - Light - Amino acids
- Novel SiO2-Supported Chromium Oxide(Cr)/Vanadium Oxide(V) Bimetallic Catalysts for Production of Bimodal Polyethylene被引量：26收藏
- 作者：Cheng, Ruihua Xue, Xin Liu, Weiwei Zhao, Ning He, Xuelian Liu, Zhen Liu, Boping
- 机构：E China Univ Sci & Technol
- 来源：MACROMOLECULAR REACTION ENGINEERING 2015
- 关键词：bimodal molecular wEIght distribution copolymerization Cr-V bimetallic catalyst kinetics (polym.) short chain branch distribution (SCBD)
- A Triphenylsiloxy Complex of Chromium(II) as a Switchable Catalyst for Ethylene Polymerization and Nonselective Oligomerization被引量：25收藏
- 作者：Qiu, Pengyuan Cheng, Ruihua Liu, Boping Tumanskii, Boris Batrice, Rami J. Botoshansky, Mark Eisen, Moris S.
- 机构：E China Univ Sci & Technol;Technion Israel Inst Technol
- 来源：ORGANOMETALLICS 2011
- 关键词：Polymerization - Coordination reactions - Crystal structure - Argon - Ethylene - Nuclear magnetic resonance spectroscopy - Aluminum compounds - Oligomers - Aluminum - Chromium compounds - Electron spin resonance spectroscopy - Oligomerization - Paramagnetic resonance
- Effect of Al-alkyl cocatalyst on ethylene polymerization behavior using silyl chromate (SC)/SiO2 catalyst被引量：25收藏
- 作者：Li, Liuzhong Wu, Yuxiang Dong, Qi Hao, Aiyou Cheng, Ruihua Zhong, Lei Liu, Boping
- 机构： School of Chemistry and Chemical Engineering; State Key Laboratory of Chemical Engineering
- 来源：Asia-Pacific Journal of Chemical Engineering 2013
- 关键词：Catalysts - Homopolymerization - Ethylene - Kinetics
- Novel SiO2-Supported Silyl-Chromate(Cr)/Imido-Vanadium(V) Bimetallic Catalysts Producing Polyethylene and Ethylene/1-Hexene Copolymers with Bimodal Molecular-WEIght Distribution被引量：25收藏
- 作者：Zhao, Ning Cheng, Ruihua He, Xuelian Liu, Zhen Liu, Boping Zhang, Rui Gao, Yuxin Zou, Enguang Wang, Sihan
- 机构：E China Univ Sci & Technol;Petrochem Res Inst PetroChina
- 来源：MACROMOLECULAR CHEMISTRY AND PHYSICS 2014
- 关键词：bimodal molecular-wEIght distribution (MWD) copolymerization kinetics (polym) imido V compounds novel Cr-imido V bimetallic catalyst
- What Triggered the Switching from Ethylene-Selective Trimerization into Tetramerization over the Cr/(2,2′-Dipicolylamine) Catalysts?被引量：24收藏
- 作者：Liu, Lin Liu, Zhen Tang, Siyang Cheng, Ruihua He, Xuelian Liu, Boping
- 机构：East China Univ Sci & Technol;Sichuan Univ;South China Agr Univ
- 来源：ACS CATALYSIS 2019
- 关键词：ethylene trimerization ethylene tetramerization switchable mechanism effect of methyl substituent DFT
- Mechanistic Aspects of Acrylic Acid Formation from CO2-Ethylene Coupling over Palladium- and Nickel-based Catalysts被引量：24收藏
- 作者：Li, Yuanhui Liu, Zhen Cheng, Ruihua Liu, Boping
- 机构：East China Univ Sci & Technol;South China Agr Univ
- 来源：CHEMCATCHEM 2018
- 关键词：CO2-ethylene coupling density functional calculations ligand effect mechanism Ni-0 Pd-0-based catalysts
- Kinetic studies on the pyrrole-Cr-based Chevron-Phillips ethylene trimerization catalyst system被引量：23收藏
- 作者：Tang, Siyang Liu, Zhen Yan, Xiaowei Li, Ning Cheng, Ruihua He, Xuelian Liu, Boping
- 机构：E China Univ Sci & Technol
- 来源：APPLIED CATALYSIS A-GENERAL 2014
- 关键词：Kinetic study Ethylene trimerization 1-Hexene Pyrrole-Cr based catalyst
- Experimental and computational approaches on the Lsospecific role of monoester-type internal electron donor for TiCl4/MgCl2 Ziegler-Natta catalysts被引量：20收藏
- 作者：Liu, Boping Cheng, Ruihua Liu, Zhen Qiu, Pengyuan Zhang, Shiliang Taniike, Toshiaki Terano, Minoru Tashino, Kunihiko Fujita, Takashi
- 机构： State Key Lab. of Chemical Engineering; School of Materials Science; R and D Section
- 来源：Macromolecular Symposia 2007
- 关键词：Computational methods - Esters - Molecular modeling - Polymerization - Polypropylenes - Titanium compounds
