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Tunnelling assisted hydrogen elimination mechanisms of FeCl3/TEMPO

Chemical communications (Cambridge, England), 2022-01, Vol.58 (4), p.565-568

2022

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DFT calculations in solution systems: solvation energy, dispersion energy and entropy

Physical chemistry chemical physics : PCCP, 2023-01, Vol.25 (2), p.913-931

2023

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Experimental and Computational Studies on the Reactivity of a Terminal Thorium Imidometallocene towards Organic Azides and Diazoalkanes

Angewandte Chemie (International ed.), 2014-10, Vol.53 (42), p.11310-11314

International ed. in English, 2014

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The treatment of dispersion terms for solution systems

Physical chemistry chemical physics : PCCP, 2023-07, Vol.25 (29), p.19422-19426

2023

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A Base-Free Thorium-Terminal-Imido Metallocene: Synthesis, Structure, and Reactivity

Chemistry : a European journal, 2011-11, Vol.17 (45), p.12669-12682

2011

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A computational study on ruthenium-catalyzed [4 + 1] annulation via C–H activation: the origin of selectivity and the role of the internal oxidizing group

Organic Chemistry Frontiers, 2019-08, Vol.6 (15), p.2600-2606

2019

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Multi-stimuli responsive behaviors of two TPE-based tautomers in the solid state and in solution

Journal of materials chemistry. C, Materials for optical and electronic devices, 2020-01, Vol.8 (12), p.4246-4252

2020

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Grinding-Triggered Single Crystal-to-Single Crystal Transformation of a Zinc(II) Complex: Mechanochromic Luminescence and Aggregation-Induced Emission Properties

Inorganic chemistry, 2019-04, Vol.58 (7), p.4626-4633

2019

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Catalytic C–H Activation/C–C Coupling Reaction: DFT Studies on the Mechanism, Solvent Effect, and Role of Additive

Journal of organic chemistry, 2013-03, Vol.78 (6), p.2405-2412

2013

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The effects of bromine atoms on the photophysical and photochemical properties of 3-cinnamoylcoumarin derivatives

New journal of chemistry, 2018, Vol.42 (9), p.7377-7382

2018

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Energy transfer between rare earths in layered rare-earth hydroxides

RSC advances, 2018-01, Vol.8 (7), p.3592-3598

2018

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DFT study on stereoselective Rh-catalyzed intramolecular [2 + 2 + 2] cycloaddition of allene–ene–ynes

Organic Chemistry Frontiers, 2023-05, Vol.10 (11), p.2624-2634

2023

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DFT study on ruthenium-catalyzed N -methylbenzamide-directed 1,4-addition of the ortho C–H bond to maleimide via C–H/C–C activation

Organic Chemistry Frontiers, 2022-12, Vol.9 (24), p.6808-6816

2022

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The rational design of a highly sensitive and selective fluorogenic probe for detecting nitric oxide

Chemical communications (Cambridge, England), 2014-01, Vol.50 (49), p.6475-6478

2014

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A Theoretical Study of Ene Reactions in Solution: A Solution-Phase Translational Entropy Model

Chemphyschem, 2015-12, Vol.16 (17), p.3711-3718

2015

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DFT Studies on the Mechanism of Palladium(IV)-Mediated C–H Activation Reactions: Oxidant Effect and Regioselectivity

Organometallics, 2015-02, Vol.34 (4), p.770-777

2015

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DFT studies on the reaction mechanism of cis-dioxoruthenium(VI)-mediated alkene oxidation

Structural chemistry, 2017-10, Vol.28 (5), p.1453-1459

Fang, De-Cai

2017

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Atomic and vibrational origins of mechanical toughness in bioactive cement during setting

Nature communications, 2015-11, Vol.6 (1), p.8631-8631, Article 8631

2015

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Pd(OAc)2‑Catalyzed C–H Activation/C–O Cyclization: Mechanism, Role of OxidantProbed by Density Functional Theory

Journal of organic chemistry, 2013-09, Vol.78 (17), p.8376-8385

2013

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DFT study on the ruthenium-catalyzed decarbonylative annulation of an alkyne with a six-membered hydroxychromone via C–H/C–C activation

Organic Chemistry Frontiers, 2022-02, Vol.9 (4), p.1056-1064

2022

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Photophysical properties of a D-π-A Schiff base and its applications in the detection of metal ions

Dalton transactions : an international journal of inorganic chemistry, 2018, Vol.47 (38), p.13730-13738

2018

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DFT studies on the distinct mechanisms of C-H activation and oxidation reactions mediated by mononuclear- and binuclear-palladium

Dalton transactions : an international journal of inorganic chemistry, 2018, Vol.47 (17), p.6102-6111

2018

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Dissociative electron transfer of copper( ii ) complexes of glycyl(glycyl/alanyl)tryptophan in vacuo : IRMPD action spectroscopy provides evidence of transition from zwitterionic to non-zwitterionic peptide structures

Physical chemistry chemical physics : PCCP, 2020-06, Vol.22 (23), p.13084-13091

2020

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Balancing the atomic waistline: Isodensity-based scrf radii for main-group elements and transition metals

International journal of quantum chemistry, 2013-04, Vol.113 (7), p.975-984

2013

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The pivotal role of electronics in preferred alkene over alkyne Ni-carboryne insertions and absolute regioselectivities

Dalton transactions : an international journal of inorganic chemistry, 2018, Vol.47 (18), p.6494-6498

2018

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Tunnelling assisted hydrogen elimination mechanisms of FeCl3/TEMPO

DFT calculations in solution systems: solvation energy, dispersion energy and entropy

Experimental and Computational Studies on the Reactivity of a Terminal Thorium Imidometallocene towards Organic Azides and Diazoalkanes

The treatment of dispersion terms for solution systems

A Base-Free Thorium-Terminal-Imido Metallocene: Synthesis, Structure, and Reactivity

A computational study on ruthenium-catalyzed [4 + 1] annulation via C–H activation: the origin of selectivity and the role of the internal oxidizing group

Multi-stimuli responsive behaviors of two TPE-based tautomers in the solid state and in solution

Grinding-Triggered Single Crystal-to-Single Crystal Transformation of a Zinc(II) Complex: Mechanochromic Luminescence and Aggregation-Induced Emission Properties

Catalytic C–H Activation/C–C Coupling Reaction: DFT Studies on the Mechanism, Solvent Effect, and Role of Additive

The effects of bromine atoms on the photophysical and photochemical properties of 3-cinnamoylcoumarin derivatives

Energy transfer between rare earths in layered rare-earth hydroxides

DFT study on stereoselective Rh-catalyzed intramolecular [2 + 2 + 2] cycloaddition of allene–ene–ynes

DFT study on ruthenium-catalyzed N -methylbenzamide-directed 1,4-addition of the ortho C–H bond to maleimide via C–H/C–C activation

The rational design of a highly sensitive and selective fluorogenic probe for detecting nitric oxide

A Theoretical Study of Ene Reactions in Solution: A Solution-Phase Translational Entropy Model

DFT Studies on the Mechanism of Palladium(IV)-Mediated C–H Activation Reactions: Oxidant Effect and Regioselectivity

DFT studies on the reaction mechanism of cis-dioxoruthenium(VI)-mediated alkene oxidation

Atomic and vibrational origins of mechanical toughness in bioactive cement during setting

Pd(OAc)2‑Catalyzed C–H Activation/C–O Cyclization: Mechanism, Role of OxidantProbed by Density Functional Theory

DFT study on the ruthenium-catalyzed decarbonylative annulation of an alkyne with a six-membered hydroxychromone via C–H/C–C activation

Photophysical properties of a D-π-A Schiff base and its applications in the detection of metal ions

DFT studies on the distinct mechanisms of C-H activation and oxidation reactions mediated by mononuclear- and binuclear-palladium

Dissociative electron transfer of copper( ii ) complexes of glycyl(glycyl/alanyl)tryptophan in vacuo : IRMPD action spectroscopy provides evidence of transition from zwitterionic to non-zwitterionic peptide structures

Balancing the atomic waistline: Isodensity-based scrf radii for main-group elements and transition metals

The pivotal role of electronics in preferred alkene over alkyne Ni-carboryne insertions and absolute regioselectivities

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