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X–H Bond Activation on Cr(III),O Sites (X = R, H): Key Steps in Dehydrogenation and Hydrogenation Processes

Organometallics, 2017-01, Vol.36 (1), p.234-244

2017

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Exo/endo Selectivity of the Ring-Closing Enyne Methathesis Catalyzed by Second Generation Ru-Based Catalysts. Influence of Reactant Substituents

ACS catalysis, 2013-02, Vol.3 (2), p.206-218

2013

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Surface Organometallic and Coordination Chemistry toward Single-Site Heterogeneous Catalysts: Strategies, Methods, Structures, and Activities

Chemical reviews, 2016-01, Vol.116 (2), p.323-421

2016

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Reply to Peters et al: Proton transfers are plausible initiation and termination steps on Cr(III) sites in ethylene polymerization

Proceedings of the National Academy of Sciences - PNAS, 2015-08, Vol.112 (31), p.E4162-E4163

2015

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Understanding the Olefin Polymerization Initiation Mechanism by Cr(III)/SiO2 Using the Activation Strain Model

Journal of physical chemistry. C, 2022-01, Vol.126 (1), p.296-308

2022

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NMR Signatures of the Active Sites in Sn-β Zeolite

Angewandte Chemie (International ed.), 2014-09, Vol.53 (38), p.10179-10183

2014

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Water Maintains the UV–Vis Spectral Features During the Insertion of Anionic Naproxen and Ibuprofen into Model Cell Membranes

The journal of physical chemistry. B, 2023-03, Vol.127 (10), p.2146-2155

2023

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Thermodynamics and Intermolecular Interactions during the Insertion of Anionic Naproxen into Model Cell Membranes

The journal of physical chemistry. B, 2021-09, Vol.125 (36), p.10383-10391

2021

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Correlating Synthetic Methods, Morphology, Atomic-Level Structure, and Catalytic Activity of Sn‑β Catalysts

ACS catalysis, 2016-07, Vol.6 (7), p.4047-4063

2016

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Rationalizing the Substituent Effects in Diels–Alder Reactions of Triazolinediones with Anthracene

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2022-09, Vol.126 (38), p.6657-6667

2022

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Mechanistic Insights into Alkane Metathesis Catalyzed by Silica-Supported Tantalum Hydrides: A DFT Study

Inorganic chemistry, 2017-09, Vol.56 (17), p.10458-10473

2017

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Proton transfers are key elementary steps in ethylene polymerization on isolated chromium(III) silicates

Proceedings of the National Academy of Sciences - PNAS, 2014-08, Vol.111 (32), p.11624-11629

2014

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Role of Substrate Substituents in Alkene Metathesis Mediated by a Ru Alkylidene Catalyst

Organometallics, 2021-01, Vol.40 (2), p.119-133

2021

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Local Structures and Heterogeneity of Silica-Supported M(III) Sites Evidenced by EPR, IR, NMR, and Luminescence Spectroscopies

Journal of the American Chemical Society, 2017-07, Vol.139 (26), p.8855-8867

2017

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Diels‐Alder reaction mechanisms of substituted chiral anthracene: A theoretical study based on the reaction force and reaction electronic flux

Journal of computational chemistry, 2020-09, Vol.41 (23), p.2022-2032

2020

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Differences in the Activation Processes of Phosphine-Containing and Grubbs–Hoveyda-Type Alkene Metathesis Catalysts

Organometallics, 2012-06, Vol.31 (11), p.4203-4215

2012

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Reactivity of a Silica-Supported Mo Alkylidene Catalyst toward Alkanes: A DFT Study on the Metathesis of Propane

Organometallics, 2018-07, Vol.37 (13), p.2023-2036

2018

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Nonadiabatic effects in the nuclear probability and flux densities through the fractional Schrödinger equation

International journal of quantum chemistry, 2019-08, Vol.119 (16), p.n/a

2019

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Mechanistic Insights into Ring-Closing Enyne Metathesis with the Second-Generation Grubbs-Hoveyda Catalyst: A DFT Study

Chemistry : a European journal, 2011-06, Vol.17 (27), p.7506-7520

2011

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DFT Study on the Recovery of Hoveyda-Grubbs-Type Catalyst Precursors in Enyne and Diene Ring-Closing Metathesis

Chemistry : a European journal, 2013-10, Vol.19 (43), p.14553-14565

2013

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Distortion Rules: Diene Ring Size Effects in Diels‐Alder Reactions with Triazolinediones

ChemistrySelect (Weinheim), 2024-01, Vol.9 (1), p.n/a

2024

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Diels‐Alder Reactivity of a Chiral Anthracene Template with Symmetrical and Unsymmetrical Dienophiles: A DFT Study

ChemistryOpen (Weinheim), 2020-07, Vol.9 (7), p.748-761

2020

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The origin of the high reactivity of triazolinediones (TADs) in Diels-Alder reactions from a theoretical perspective

Tetrahedron, 2020-09, Vol.76 (38), p.131459, Article 131459

2020

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Heterolytic Activation of C–H Bonds on Cr III –O Surface Sites Is a Key Step in Catalytic Polymerization of Ethylene and Dehydrogenation of Propane

Inorganic chemistry, 2015-06, Vol.54 (11), p.5065-5078

2015

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Heterolytic Activation of C-H Bonds on Cr(III)-O Surface Sites Is a Key Step in Catalytic Polymerization of Ethylene and Dehydrogenation of Propane

Inorganic chemistry, 2015-06, Vol.54 (11), p.5065-5078

2015

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X–H Bond Activation on Cr(III),O Sites (X = R, H): Key Steps in Dehydrogenation and Hydrogenation Processes

Exo/endo Selectivity of the Ring-Closing Enyne Methathesis Catalyzed by Second Generation Ru-Based Catalysts. Influence of Reactant Substituents

Surface Organometallic and Coordination Chemistry toward Single-Site Heterogeneous Catalysts: Strategies, Methods, Structures, and Activities

Reply to Peters et al: Proton transfers are plausible initiation and termination steps on Cr(III) sites in ethylene polymerization

Understanding the Olefin Polymerization Initiation Mechanism by Cr(III)/SiO2 Using the Activation Strain Model

NMR Signatures of the Active Sites in Sn-β Zeolite

Water Maintains the UV–Vis Spectral Features During the Insertion of Anionic Naproxen and Ibuprofen into Model Cell Membranes

Thermodynamics and Intermolecular Interactions during the Insertion of Anionic Naproxen into Model Cell Membranes

Correlating Synthetic Methods, Morphology, Atomic-Level Structure, and Catalytic Activity of Sn‑β Catalysts

Rationalizing the Substituent Effects in Diels–Alder Reactions of Triazolinediones with Anthracene

Mechanistic Insights into Alkane Metathesis Catalyzed by Silica-Supported Tantalum Hydrides: A DFT Study

Proton transfers are key elementary steps in ethylene polymerization on isolated chromium(III) silicates

Role of Substrate Substituents in Alkene Metathesis Mediated by a Ru Alkylidene Catalyst

Local Structures and Heterogeneity of Silica-Supported M(III) Sites Evidenced by EPR, IR, NMR, and Luminescence Spectroscopies

Diels‐Alder reaction mechanisms of substituted chiral anthracene: A theoretical study based on the reaction force and reaction electronic flux

Differences in the Activation Processes of Phosphine-Containing and Grubbs–Hoveyda-Type Alkene Metathesis Catalysts

Reactivity of a Silica-Supported Mo Alkylidene Catalyst toward Alkanes: A DFT Study on the Metathesis of Propane

Nonadiabatic effects in the nuclear probability and flux densities through the fractional Schrödinger equation

Mechanistic Insights into Ring-Closing Enyne Metathesis with the Second-Generation Grubbs-Hoveyda Catalyst: A DFT Study

DFT Study on the Recovery of Hoveyda-Grubbs-Type Catalyst Precursors in Enyne and Diene Ring-Closing Metathesis

Distortion Rules: Diene Ring Size Effects in Diels‐Alder Reactions with Triazolinediones

Diels‐Alder Reactivity of a Chiral Anthracene Template with Symmetrical and Unsymmetrical Dienophiles: A DFT Study

The origin of the high reactivity of triazolinediones (TADs) in Diels-Alder reactions from a theoretical perspective

Heterolytic Activation of C–H Bonds on Cr III –O Surface Sites Is a Key Step in Catalytic Polymerization of Ethylene and Dehydrogenation of Propane

Heterolytic Activation of C-H Bonds on Cr(III)-O Surface Sites Is a Key Step in Catalytic Polymerization of Ethylene and Dehydrogenation of Propane

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