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Computational Catalysis Using the Artificial Force Induced Reaction Method

Accounts of chemical research, 2016-04, Vol.49 (4), p.763-773

2016

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Palladium-Catalyzed Regioselective and Stereospecific Ring-Opening Cross-Coupling of Aziridines: Experimental and Computational Studies

Accounts of chemical research, 2020-08, Vol.53 (8), p.1686-1702

2020

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Highly Twisted N,N‑Dialkylamines as a Design Strategy to Tune Simple Aromatic Hydrocarbons as Steric Environment-Sensitive Fluorophores

Journal of the American Chemical Society, 2016-07, Vol.138 (26), p.8194-8206

2016

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DFT and AFIR Study on the Mechanism and the Origin of Enantioselectivity in Iron-Catalyzed Cross-Coupling Reactions

Journal of the American Chemical Society, 2017-11, Vol.139 (45), p.16117-16125

2017

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A General Mechanism for the Copper- and Silver-Catalyzed Olefin Aziridination Reactions: Concomitant Involvement of the Singlet and Triplet Pathways

Journal of the American Chemical Society, 2013-01, Vol.135 (4), p.1338-1348

2013

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Phosphorescence Properties of Discrete Platinum(II) Complex Anions Bearing N‑Heterocyclic Carbenes in the Solid State

Inorganic chemistry, 2018-11, Vol.57 (22), p.14086-14096

2018

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Expanding the Range of Force Fields Available for ONIOM Calculations: The SICTWO Interface

Journal of chemical information and modeling, 2018-09, Vol.58 (9), p.1828-1835

2018

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Functional-Group-Tolerant, Silver-Catalyzed N–N Bond Formation by Nitrene Transfer to Amines

Journal of the American Chemical Society, 2017-02, Vol.139 (6), p.2216-2223

2017

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The ONIOM Method and Its Applications

Chemical reviews, 2015-06, Vol.115 (12), p.5678-5796

2015

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Chemo‑, Regio‑, and Stereoselective Silver-Catalyzed Aziridination of Dienes: Scope, Mechanistic Studies, and Ring-Opening Reactions

Journal of the American Chemical Society, 2014-04, Vol.136 (14), p.5342-5350

2014

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Dehydration of Methanediol in Aqueous Solution: An ONIOM(QM/MM) Study

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2016-08, Vol.120 (33), p.6670-6676

2016

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The Mechanism of Iron(II)-Catalyzed Asymmetric Mukaiyama Aldol Reaction in Aqueous Media: Density Functional Theory and Artificial Force-Induced Reaction Study

Journal of the American Chemical Society, 2015-09, Vol.137 (34), p.11085-11094

2015

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Luminescent Re(I) Carbonyl Complexes as Trackable PhotoCORMs for CO delivery to Cellular Targets

Inorganic chemistry, 2017-03, Vol.56 (5), p.2863-2873

2017

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Development of Ion-Conductive and Vapoluminescent Porous Coordination Polymers Composed of Ruthenium(II) Metalloligand

Inorganic chemistry, 2017-03, Vol.56 (5), p.3005-3013

2017

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Biological Evaluation of Platinum(II) Sulfonamido Complexes: Synthesis, Characterization, Cytotoxicity, and Biological Imaging

Bioinorganic chemistry and applications, 2022-09, Vol.2022, p.1-13

2022

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Nitrogen reduction by the Fe sites of synthetic [Mo3S4Fe] cubes

Nature (London), 2022-07, Vol.607 (7917), p.86-90

2022

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Determination of the Branching Ratio of CH3OH + OH Reaction on Water Ice Surface at 10 K

The Astrophysical journal, 2024-01, Vol.960 (1), p.90

2024

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Palladium-catalyzed regioselective and stereo-invertive ring-opening borylation of 2-arylaziridines with bis(pinacolato)diboron: experimental and computational studies

Chemical science (Cambridge), 2016-01, Vol.7 (9), p.6141-6152

2016

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CO release from Mn()-based photoCORMs with single photons in the phototherapeutic region

Chemical communications (Cambridge, England), 2021-01, Vol.57 (9), p.111-114

2021

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Successive H-atom Addition to Solid OCS on Compact Amorphous Solid Water

The Astrophysical journal, 2021-12, Vol.922 (2), p.146

2021

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Siloxy Esters as Traceless Activators of Carboxylic Acids: Boron‐Catalyzed Chemoselective Asymmetric Aldol Reaction

Angewandte Chemie (International ed.), 2021-11, Vol.60 (46), p.24598-24604

International ed. in English, 2021

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Surface Reaction of Methyl Mercaptan (CH3SH) with Hydrogen Atoms on Amorphous Solid Water

The Astrophysical journal, 2023-02, Vol.944 (2), p.219

2023

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Solvent-Free Thermal Synthesis of Luminescent Dinuclear Cu(I) Complexes with Triarylphosphines

Inorganic chemistry, 2018-05, Vol.57 (10), p.5929-5938

2018

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Synthesis of Dinuclear Mo−Fe Hydride Complexes and Catalytic Silylation of N2

Chemistry : a European journal, 2020-08, Vol.26 (43), p.9537-9546

2020

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Synthesis, characterization and biological evaluation of dipicolylamine sulfonamide derivatized platinum complexes as potential anticancer agents

RSC advances, 2021-05, Vol.11 (29), p.17658-17668

2021

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Computational Catalysis Using the Artificial Force Induced Reaction Method

Palladium-Catalyzed Regioselective and Stereospecific Ring-Opening Cross-Coupling of Aziridines: Experimental and Computational Studies

Highly Twisted N,N‑Dialkylamines as a Design Strategy to Tune Simple Aromatic Hydrocarbons as Steric Environment-Sensitive Fluorophores

DFT and AFIR Study on the Mechanism and the Origin of Enantioselectivity in Iron-Catalyzed Cross-Coupling Reactions

A General Mechanism for the Copper- and Silver-Catalyzed Olefin Aziridination Reactions: Concomitant Involvement of the Singlet and Triplet Pathways

Phosphorescence Properties of Discrete Platinum(II) Complex Anions Bearing N‑Heterocyclic Carbenes in the Solid State

Expanding the Range of Force Fields Available for ONIOM Calculations: The SICTWO Interface

Functional-Group-Tolerant, Silver-Catalyzed N–N Bond Formation by Nitrene Transfer to Amines

The ONIOM Method and Its Applications

Chemo‑, Regio‑, and Stereoselective Silver-Catalyzed Aziridination of Dienes: Scope, Mechanistic Studies, and Ring-Opening Reactions

Dehydration of Methanediol in Aqueous Solution: An ONIOM(QM/MM) Study

The Mechanism of Iron(II)-Catalyzed Asymmetric Mukaiyama Aldol Reaction in Aqueous Media: Density Functional Theory and Artificial Force-Induced Reaction Study

Luminescent Re(I) Carbonyl Complexes as Trackable PhotoCORMs for CO delivery to Cellular Targets

Development of Ion-Conductive and Vapoluminescent Porous Coordination Polymers Composed of Ruthenium(II) Metalloligand

Biological Evaluation of Platinum(II) Sulfonamido Complexes: Synthesis, Characterization, Cytotoxicity, and Biological Imaging

Nitrogen reduction by the Fe sites of synthetic [Mo3S4Fe] cubes

Determination of the Branching Ratio of CH3OH + OH Reaction on Water Ice Surface at 10 K

Palladium-catalyzed regioselective and stereo-invertive ring-opening borylation of 2-arylaziridines with bis(pinacolato)diboron: experimental and computational studies

CO release from Mn()-based photoCORMs with single photons in the phototherapeutic region

Successive H-atom Addition to Solid OCS on Compact Amorphous Solid Water

Siloxy Esters as Traceless Activators of Carboxylic Acids: Boron‐Catalyzed Chemoselective Asymmetric Aldol Reaction

Surface Reaction of Methyl Mercaptan (CH3SH) with Hydrogen Atoms on Amorphous Solid Water

Solvent-Free Thermal Synthesis of Luminescent Dinuclear Cu(I) Complexes with Triarylphosphines

Synthesis of Dinuclear Mo−Fe Hydride Complexes and Catalytic Silylation of N2

Synthesis, characterization and biological evaluation of dipicolylamine sulfonamide derivatized platinum complexes as potential anticancer agents

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