Publications by authors named "Gregory Chass"

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Nickel-Catalyzed Three-Component Unsymmetrical Bis-Allylation of Alkynes with Alkenes: A Density Functional Theory Study.
Tao Yu, Jingxuan Zhang, Guo Liu, Liangfei Duan, Kun V Tian, Gregory A Chass

Molecules· March 2024

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CO2-mineralization and carbonation reactor rig: Design and validation for in situ neutron scattering experiments-Engineering and lessons learned.
Ali Mortazavi, Fu Song, Michael Dudman, Michael Evans, Robert Copcutt, Gregory A Chass

Rev Sci Instrum· September 2023

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Pd-NHC catalysed regioselective activation of B(3,6)-H of -carborane - a synergy between experiment and theory.
Jia-Wei Yu, Cai-Yan Zhang, Gregory A Chass, Jing-Xuan Zhang, Wei-Hua Mu

Dalton Trans· August 2023

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Bioactivity of the cannabigerol cannabinoid and its analogues - the role of 3-dimensional conformation.
Mohammed Salha, Henry Adenusi, John H Dupuis, Enrico Bodo, Bruno Botta, Gregory A Chass

Org Biomol Chem· June 2023

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Aluminium catalysed oligomerisation in cement-forming silicate systems.
Mohammed S Salha, Rickey Y Yada, David H Farrar, Gregory A Chass, Kun V Tian

Phys Chem Chem Phys· December 2022

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Optimal Icosahedral Copper-Based Bimetallic Clusters for the Selective Electrocatalytic CO Conversion to One Carbon Products.
Azeem Ghulam Nabi, Aman-Ur-Rehman, Akhtar Hussain, Gregory A Chass, Devis Di Tommaso

Nanomaterials (Basel)· December 2022

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A Database of Solution Additives Promoting Mg Dehydration and the Onset of MgCO Nucleation.
Dimitrios Toroz, Fu Song, Amira Uddin, Gregory A Chass, Devis Di Tommaso

Cryst Growth Des· May 2022

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From Molten Calcium Aluminates through Phase Transitions to Cement Phases.
Hao Liu, Wenlin Chen, Ruikun Pan, Zhitao Shan, Ang Qiao, Gregory A Chass

Adv Sci (Weinh)· January 2020

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Reply to the 'Comment on "Penicillin's catalytic mechanism revealed by inelastic neutrons and quantum chemical theory"' by S. A. Glover, Phys. Chem. Chem. Phys., 2019, 21, 18012.
Zoltan Mucsi, Gregory A Chass, Imre G Csizmadia

Phys Chem Chem Phys· December 2019

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Systematic characterisation of the structure and radical scavenging potency of Pu'Er tea () polyphenol theaflavin.
Huyen Trang Vu, Fu V Song, Kun V Tian, Haibin Su, Gregory A Chass

Org Biomol Chem· November 2019

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Reduction Rate of 1-Phenyl Phospholane 1-Oxide Enhanced by Silanol Byproducts: Comprehensive DFT Study and Kinetic Modeling Linked to Reagent Design.
Mauro Fianchini, Christopher J O'Brien, Gregory A Chass

J Org Chem· September 2019

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Composition-Nanostructure Steered Performance Predictions in Steel Wires.
Kun V Tian, Francesca Passaretti, Adelaide Nespoli, Ernesto Placidi, Roberta Condò, Gregory A Chass

Nanomaterials (Basel)· August 2019

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The pivotal role of electronics in preferred alkene over alkyne Ni-carboryne insertions and absolute regioselectivities.
Wei-Hua Mu, Rui-Jiao Cheng, De-Cai Fang, Gregory A Chass

Dalton Trans· May 2018

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Multi-Pathway Consequent Chemoselectivities of CpRuCl(PPh ) /MeI-Catalysed Norbornadiene Alkyne Cycloadditions.
Wei-Hua Mu, De-Cai Fang, Shu-Ya Xia, Rui-Jiao Cheng, Gregory A Chass

Chemistry· October 2016

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Simulations reveal the role of composition into the atomic-level flexibility of bioactive glass cements.
Kun Viviana Tian, Gregory A Chass, Devis Di Tommaso

Phys Chem Chem Phys· January 2016

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Structure and spectroscopy of CuH prepared via borohydride reduction.
Elliot L Bennett, Thomas Wilson, Patrick J Murphy, Keith Refson, Alex C Hannon, Gregory A Chass

Acta Crystallogr B Struct Sci Cryst Eng Mater· December 2015

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Atomic and vibrational origins of mechanical toughness in bioactive cement during setting.
Kun V Tian, Bin Yang, Yuanzheng Yue, Daniel T Bowron, Jerry Mayers, Gregory A Chass

Nat Commun· November 2015

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Competing Mechanisms, Substituent Effects, and Regioselectivities of Nickel-Catalyzed [2 + 2 + 2] Cycloaddition between Carboryne and Alkynes: A DFT Study.
Wei-Hua Mu, Shu-Ya Xia, Ji-Xiang Li, De-Cai Fang, Gang Wei, Gregory A Chass

J Org Chem· September 2015

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How the surface structure determines the properties of CuH.
Elliot Bennett, Thomas Wilson, Patrick J Murphy, Keith Refson, Alex C Hannon, Gregory A Chass

Inorg Chem· March 2015

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Between a reactant rock and a solvent hard place--molecular corrals guide aromatic substitutions.
Yan-Mei Chen, Gregory Adam Chass, De-Cai Fang

Phys Chem Chem Phys· January 2014

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Penicillin's catalytic mechanism revealed by inelastic neutrons and quantum chemical theory.
Zoltán Mucsi, Gregory A Chass, Péter Ábrányi-Balogh, Balázs Jójárt, De-Cai Fang

Phys Chem Chem Phys· December 2013

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Pd(OAc)2-catalyzed C-H activation/C-O cyclization: mechanism, role of oxidant-probed by density functional theory.
Bing Lian, Lei Zhang, Gregory Adam Chass, De-Cai Fang

J Org Chem· September 2013

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Simplification through complexity: the role of Ni-complexes in catalysed diyne-cyclobutanone [4+2+2] cycloadditions, a comparative DFT study.
Jia-Yuan Tao, De-Cai Fang, Gregory A Chass

Phys Chem Chem Phys· May 2012

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Qualitative assessment of microstructure and Hertzian indentation failure in biocompatible glass ionomer cements.
Kun V Tian, Peter M Nagy, Gregory A Chass, Pal Fejerdy, John W Nicholson

J Mater Sci Mater Med· March 2012

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Persistently folded circular aromatic amide pentamers containing modularly tunable cation-binding cavities with high ion selectivity.
Bo Qin, Changliang Ren, Ruijuan Ye, Chang Sun, Khalid Chiad, Gregory A Chass

J Am Chem Soc· July 2010

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