朱荣秀

2026

双环[1.1.0]丁烷合成策略的研究进展

《大学化学》

2026

沙利度胺“除三害”

《大学化学》

2026

“最佳多面手”颁奖典礼——透明质酸家族的荣耀时刻

《大学化学》

2026

计算化学教学案例:二氟二氮烯分子顺式效应的超共轭本质

《化学教育(中英文)》

DOI

2026

Theoretical Insight into the Mechanism, Selectivity, and Substituent Effects in Rh-Catalyzed Asymmetric Arylation of Cyclobutenone Ketals with Arylboronic Acids

Organic Chemistry Frontiers

DOI

2025

Teaching Acyclic Conformational Preferences with Density Functional Theory Calculations and Natural Bond Orbital Analysis: An Undergraduate Organic Chemistry Laboratory Module

Journal Of Chemical Education

DOI

2025

Evolving Mechanistic Understanding of Electrophilic Aromatic Substitution: An Inquiry-Based Computational Chemistry Activity on Anisole Chlorination

Journal Of Chemical Education，Vol. 1020, No. 100

DOI

2025

计算化学方法再探“碘催化氯苯的氯代反应”

《大学化学》

2025

基于MATLAB的类氢轨道可视化及相关教学问题解析

《大学化学》

2025

基于计算化学的可视化教学:手性及立体异构现象

《化学教育(中英文)》

DOI

2025

用计算化学方法阐释溴乙烷取代和消去反应的竞争机制

《化学教育(中英文)》

DOI

2025

酸催化丙酮碘化反应的计算化学研究

《化学教育(中英文)》

DOI

2025

烃自由基结构、稳定性和烷烃氯代反应选择性的理论研究

《大学化学》

2025

DFT Calculations Reveal the Origins of Chemo-, Regio-, and Stereoselectivities in Nickel-Catalyzed Synthesis of Chiral Tetrasubstituted Allenes with Simultaneous Construction of Central and Axial Chirality.

Inorganic Chemistry

DOI

2024

量子化学课程思政建设：揭示事物普遍联系的几个教学案例

《大学化学》

2024

典型频哪醇重排反应的机理及基团迁移规律的研究——一个研究型计算化学实验

《大学化学》

2024

DFT mechanistic study on the synthesis of 2-fluorinated allylic scaffolds via PdII-catalyzed defluorinative arylation of gem-difluorocyclopropanes with phenylboronic acids

Molecular Catalysis

DOI

2024

Mechanism and Enantioselectivity in QUINOX-Catalyzed Asymmetric Allylations of Aromatic Aldehydes: Solvent and Substituent Effects.

Journal of Organic Chemistry

DOI

2024

Palladium-catalyzed remote allylation of styrene derivatives: DFT calculations unraveling regioselectivity controlled by non-covalent interactions

Molecular Catalysis

DOI

2024

Nickel-catalyzed defluorinative asymmetric cyclization of Trifluoromethyl-substituted 1,6-Enynes: Insights from DFT calculations on the reaction mechanism and selectivity

Molecular Catalysis

DOI

2023

休克尔分子轨道方法与量子化学计算相结合理解链状共轭体系的H[1,j]σ迁移反应

《化学教育(中英文)》

2023

Baeyer-Villiger重排机理及基团迁移规律的量子化学计算研究——推荐一个研究型计算化学实验

《大学化学》

2023

理论与计算化学在基础化学课程中的应用：1,2-环氧化物开环反应

《大学化学》

2023

应用量子化学计算理解溶剂对CH3O-/CH3S-亲核性的影响

《大学化学》

2023

New insight into Cu-catalyzed borocarbonylative coupling reactions of alkenes with alkyl halides

Journal of Catalysis

DOI

2023

New insights into the mechanism of synergetic photoredox/copper( i )-catalyzed carbocyanation of 1,3-dienes: a DFT study

Chemical Science

DOI

2022

Computational study on the prototropic tautomerism between simple oxo-, thio-, carbon-, aza-hydrazones, and their respective azines

Journal of Molecular Modeling

DOI

2022

Kinetic resolution of cyclic benzylic azides enabled by site- and enantioselective C(sp3)–H oxidation

Nature Communications

DOI

2022

Theoretical Insight into the Mechanism and Selectivity in Manganese-Catalyzed Oxidative C(sp3)–H Methylation

ACS Catalysis

DOI

2022

Understanding the Effect of Solvents on the Nucleophilicity of CH3O-/CH3S- Using Quantum Chemical Calculations

University Chemistry

DOI

2021

金催化炔基苯并二(口恶)英环化合成8-羟基异香豆素的理论研究

《高等学校化学学报》

2021

Key role of a π–π complex in diaryl cross-coupling between aryldiazonium salts and arylboronic acids using photosensitizer-free gold/photoredox catalysis

Organic Chemistry Frontiers

DOI

2021

Xylarins A–D, Two Pairs of Diastereoisomeric Isoindoline Alkaloids from the Endolichenic Fungus Xylaria sp.

Organic Letters

DOI

2021

Construction of Vicinal Quaternary Carbon Stereocenters Through Diastereo‐ and Enantioselective Oxidative 1,6‐Conjugate Addition

Angewandte Chemie

DOI

2021

Enantioselective Total Syntheses of Manginoids A and C and Guignardones A and C

Angewandte Chemie

DOI

2020

Catecholic alkaloid sulfonates and aromatic nitro compounds from Portulaca oleracea and screening of their anti-inflammatory and anti-microbial activities

Phytochemistry

DOI

2020

DFT study on synergetic Ir/Cu-metallaphotoredox catalyzed trifluoromethylation of aryl bromides

Molecular Catalysis

DOI

2020

Theoretical insight into the different reactivities of aliphatic and aromatic terminal alkynes towards homopropargyl alcohols via Au(I) catalysis

Molecular Catalysis

DOI

2020

Mechanistic study of Selectfluor-mediated digold-catalyzed Csp3-Csp2 coupling reaction

Chemical Physics Letters

DOI

2020

Mechanism and Origins of Enantio- and Regioselectivities in Catalytic Asymmetric Minisci-Type Addition to Heteroarenes

The Journal of Organic Chemistry

DOI

2020

Computational Study on Why and How of Nonconventional meta-C–H Arylation of Electron-Rich Arenes via Pd/Quinoxaline-Based Ligand/Norbornene Cooperative Catalysis

The Journal of Organic Chemistry

DOI

2020

Computational Clarification of Synergetic RuII/CuI-Metallaphotoredox Catalysis in C(sp3)–N Cross-Coupling Reactions of Alkyl Redox-Active Esters with Anilines

ACS Catalysis

DOI

2020

Terpenoids from the Chinese liverwort Odontoschisma grosseverrucosum and their antifungal virulence activity

Phytochemistry

DOI

2020

Theoretical Insight into Palladium(II)–Counterion–Ligand Cooperative Regiodivergent Syntheses of Indolo[3,2- c ]coumarins and Benzofuro[3,2- c ]quinolinones from Diphenylethyne Derivatives

Inorganic Chemistry

DOI

2020

Deciphering the role of acid additives in chiral diamine-catalyzed asymmetric aldol reactions of cyclohexanones with aldehydes

Molecular Catalysis

DOI

2020

Terpenoids from the Chinese liverwort Heteroscyphus coalitus and their anti-virulence activity against Candida albicans

Phytochemistry

DOI

2020

Mechanism and Origin of MAD‐Induced Ni/N‐Heterocyclic Carbene‐Catalyzed Regio‐ and Enantioselective C−H Cyclization of Pyridines with Alkenes

Chemistry - A European Journal

DOI

2020

Dual Chalcogen–Chalcogen Bonding Catalysis

Journal of the American Chemical Society

DOI

2020

δ-Cyano substituted para -quinone methides enable access to unsymmetric tri- and tetraarylmethanes containing all-carbon quaternary stereocenters

Organic & Biomolecular Chemistry

DOI

2020

Redox deracemization of β,γ-alkynyl α-amino esters

Chemical Science

DOI

2019

Probing the Interconversion of Labdane Lactones from the Chinese Liverwort Pallavicinia ambigua

Organic Letters

DOI

2019

Direct Oxidative Dearomatization of Indoles with Aromatic Ketones: Rapid Access to 2,2-Disubstituted Indolin-3-ones

Synthesis

DOI

2019

DFT Study on Photosensitizer-Free Visible-Light-Mediated Au-Catalyzed cis-Difunctionalization of Alkynes: Mechanism and Selectivities as Compared to Rh Catalysis

The Journal of Organic Chemistry

DOI

2019

Solvent dependence of the stereoselectivity in bipyridine N,N′-dioxide catalyzed allylation of aromatic aldehydes: A computational perspective

Molecular Catalysis

DOI

2019

Polyketides from the endolichenic fungus Eupenicillium javanicum and their anti-inflammatory activities

Phytochemistry

DOI

2019

Mechanistic Study on the Decarboxylative sp3 C–N Cross-Coupling between Alkyl Carboxylic Acids and Nitrogen Nucleophiles via Dual Copper and Photoredox Catalysis

Inorganic Chemistry

DOI

2019

Prenylated Bibenzyls from the Chinese Liverwort Radula constricta and Their Mitochondria-Derived Paraptotic Cytotoxic Activities

Journal of Natural Products

DOI

2019

Theoretical Insight into the Mechanism and Origin of Divergent Reactivity in the Synthesis of Benzo-Heterocycles from o-Alkynylbenzamides Catalyzed by Gold and Platinum Complexes

The Journal of Organic Chemistry

DOI

2019

Mechanistic picture of the redox-neutral C C bond cleavage in 1,3-dilignol lignin model compound catalyzed by [Ru(Cl)(H)(PPh3)3]/triphos

Molecular Catalysis

DOI

2019

Sacculatane diterpenoids from the Chinese liverwort Pellia epiphylla with protection against H2O2-induced apoptosis of PC12 cells

Phytochemistry

DOI

2019

Prenyl bibenzyls isolated from Chinese liverwort Radula amoena and their cytotoxic activities

Phytochemistry Letters

DOI

2019

Secondary metabolites from the endolichenic fungus Ophiosphaerella korrae

RSC Advances

DOI

2019

Computational study on the 1,3-diyne synthesis from gold( i )-catalyzed alkynylation of terminal alkynes with alkynyl hypervalent iodine reagents under the aid of a silver complex and 1,10-phenanthroline

Catalysis Science & Technology

DOI

2018

Theoretical Insight into the Au(I)-Catalyzed Intermolecular Condensation of Homopropargyl Alcohols with Terminal Alkynes: Reactant Stoichiometric Ratio-Controlled Chemodivergence

The Journal of Organic Chemistry

DOI

2018

Plagiochianins A and B, Two ent-2,3-seco-Aromadendrane Derivatives from the Liverwort Plagiochila duthiana

Organic Letters

DOI

2018

Cover Feature: The Dual Role of Gold(I) Complexes in Photosensitizer‐Free Visible‐Light‐Mediated Gold‐Catalyzed 1,2‐Difunctionalization of Alkynes: A DFT Study (Chem. Eur. J. 53/2018)

Chemistry - A European Journal

DOI

2018

Theoretical Insight into Ligand- and Counterion-Controlled Regiodivergent Reactivity in Synthesis of Borylated Furans: 1,2-H vs 1,2-B Migration

ACS Catalysis

DOI

2018

The Dual Role of Gold(I) Complexes in Photosensitizer‐Free Visible‐Light‐Mediated Gold‐Catalyzed 1,2‐Difunctionalization of Alkynes: A DFT Study

Chemistry - A European Journal

DOI

2018

Terpenoids with vasorelaxant effects from the Chinese liverwort Scapania carinthiaca

Bioorganic & Medicinal Chemistry

DOI

2018

Clerodane diterpenoids from the Chinese liverwort Jamesoniella autumnalis and their anti-inflammatory activity

Phytochemistry

DOI

2018

Terpenoids isolated from Chinese liverworts Lepidozia reptans and their anti-inflammatory activity

Bioorganic & Medicinal Chemistry

DOI

2018

Theoretical Insight into the Mechansim and Origin of Ligand-Controlled Regioselectivity in Homogenous Gold-Catalyzed Intramolecular Hydroarylation of Alkynes

The Journal of Organic Chemistry

DOI

2018

Ophiosphaerellins A–I, Polyketide-Derived Compounds from the Endolichenic Fungus Ophiosphaerella korrae

ACS Omega

DOI

2018

Cyperane and eudesmane-type sesquiterpenoids from Chinese liverwort and their anti-diabetic nephropathy potential

RSC Advances

DOI

2017

Bibenzyl-Based Meroterpenoid Enantiomers from the Chinese LiverwortRadula sumatrana

Journal of Natural Products

DOI

2017

Theoretical Elucidation of the Mechanism and Kinetic Experimental Phenomena on the Esterification of α-Tocopherol with Succinic Anhydride: Catalysis of a Histidine Derivative vs an Imidazolium-Based Ionic Liquid

The Journal of Organic Chemistry

DOI

2016

Heptaketides from an Endolichenic Fungus Biatriospora sp. and Their Antifungal Activity

Journal of Natural Products

DOI

2016

Mechanism and Origin of Selectivity in Platinum(II)‐Catalyzed Reactions of Acyclic γ,δ‐Ynones with Alkenes

ChemCatChem

DOI

2016

A practical oxidative C–H functionalization of N-carbamoyl tetrahydro-β-carbolines with diverse potassium trifluoroborates

Organic & Biomolecular Chemistry

DOI

2015

铂催化2-烯炔苯甲醛水合环化反应的机理及化学选择性的理论研究（英文）

《高等学校化学学报》

2015

Indoline Amide Glucosides from Portulaca oleracea : Isolation, Structure, and DPPH Radical Scavenging Activity

Journal of Natural Products

DOI

2015

Tetramic Acids and Pyridone Alkaloids from the Endolichenic Fungus Tolypocladium cylindrosporum

Journal of Natural Products

DOI

2015

Scapairrins A–Q, Labdane-Type Diterpenoids from the Chinese Liverwort Scapania irrigua and Their Cytotoxic Activity

Journal of Natural Products

DOI

2015

ChemInform Abstract: Two Novel Abietane Norditerpenoids with Antiinflammatory Properties from the Roots of Salvia miltiorrhiza var. alba.

ChemInform

DOI

2015

Theoretical study on the mechanism of selective fluorination of aromatic compounds with Selectfluor

RSC Advances

DOI

2015

Theoretical investigation of gold-catalyzed oxidative C sp3 –C sp2 bond formation via aromatic C–H activation

RSC Advances

DOI

2015

Identification and Biological Evaluation of Secondary Metabolites from the Endolichenic Fungus Aspergillus versicolor

Chemistry & Biodiversity

DOI

2014

Revised Role of Selectfluor in Homogeneous Au‐Catalyzed Oxidative CO Bond Formations

Chemistry - A European Journal

DOI

2014

Two novel abietane norditerpenoids with anti-inflammatory properties from the roots of Salvia miltiorrhiza var. alba

Tetrahedron Letters

DOI

2014

Adsorption behaviors of monomer and dimer of formic acid on Pt (111) in the absence and presence of water

Journal of Molecular Modeling

DOI

2014

Marsupellins A–F,ent-Longipinane-Type Sesquiterpenoids from the Chinese LiverwortMarsupella alpinewith Acetylcholinesterase Inhibitory Activity

Journal of Natural Products

DOI

2014

Theoretical study of the adsorption of pentachlorophenol on the pristine and Fe-doped boron nitride nanotubes

Journal of Molecular Modeling

DOI

2014

ChemInform Abstract: cis‐Clerodane Diterpenes from the Liverwort Scapania ciliata

ChemInform

DOI

2014

Enantioselective recognition of an inherently chiral calix[4]arene crown-6 carboxylic acid cone conformer towards chiral aminoalcohols

RSC Advances

DOI

2014

ChemInform Abstract: Peniciketals A—C, New Spiroketals from Saline Soil Derived Penicillium raistrichii.

ChemInform

DOI

2013

Aphadilactones A–D, Four Diterpenoid Dimers with DGAT Inhibitory and Antimalarial Activities from a Meliaceae Plant

The Journal of Organic Chemistry

DOI

2013

Theoretical study on the origin of enantioselectivity in the primary amine–Brønsted acid catalyzed epoxidation of cyclic enones

Tetrahedron Asymmetry

DOI

2013

Peniciketals A–C, New Spiroketals from Saline Soil Derived Penicillium raistrichii

Organic Letters

DOI

2013

Highly Oxygenated ent-Pimarane-Type Diterpenoids from the Chinese Liverwort Pedinophyllum interruptum and Their Allelopathic Activities

Journal of Natural Products

DOI

2013

Inherently chiral biscalixarene cone–cone conformers consisting of calix[4]arene and calix[5]arene subunits

Tetrahedron Letters

DOI

2013

cis‐Clerodane Diterpenes from the Liverwort Scapania ciliata

Chemistry & Biodiversity

DOI

2013

A pair of unprecedented spiro-trisindole enantiomers fused through a five-member ring from Laurencia similis

Tetrahedron Letters

DOI

2013

ChemInform Abstract: Synthesis of N‐Substituted‐6‐alkoxypteridin‐4‐amine

ChemInform

DOI

2012

Interconversion of the Pallambins through Photoinduced Rearrangement

Organic Letters

DOI

2012

Interactions of Zn(II) with single and multiple amino acids. Insights from density functional and ab initio calculations

Journal of Mass Spectrometry

DOI

2012

Quantum chemistry studies of the catalysis mechanism differences between the two isoforms of glutamic acid decarboxylase

Journal of Molecular Modeling

DOI

2012

Synthesis of N‐Substituted‐6‐alkoxypteridin‐4‐amine

Journal of Heterocyclic Chemistry

DOI

2012

cis-Clerodane diterpenoids from the Chinese liverwort Scapania parva Steph.

Phytochemistry Letters

DOI

2012

Serratustones A and B Representing a New Dimerization Pattern of Two Types of Sesquiterpenoids from Chloranthus serratus

Organic Letters

DOI

2012

Theoretical Elucidation on the Regio-, Diastereo-, and Enantio-Selectivities of Chiral Primary–Tertiary Diamine Catalyst for Asymmetric Direct Aldol Reactions of Aliphatic Ketones

The Journal of Physical Chemistry A

DOI

2012

Phaeosphaerins A–F, Cytotoxic Perylenequinones from an Endolichenic Fungus,Phaeosphaeriasp.

Journal of Natural Products

DOI

2012

Origin of Enantioselectivity in the Propargylation of Aromatic Aldehydes Catalyzed by Helical N -Oxides

Journal of the American Chemical Society

DOI

2011

Theoretical Investigation on the Chiral Diamine-Catalyzed Epoxidation of Cyclic Enones: Mechanism and Effects of Cocatalyst

The Journal of Physical Chemistry A

DOI

2011

Sarcanolides A and B: two sesquiterpenoid dimers with a nonacyclic scaffold from Sarcandra hainanensis

Tetrahedron

DOI

2011

ChemInform Abstract: Scaparvin A, a Novel Caged cis‐Clerodane with an Unprecedented C‐6/C‐11 Bond, and Related Diterpenoids from the Liverwort Scapania parva.

ChemInform

DOI

2011

Stereochemical Investigation of Macrocyclic Bisbibenzyls with a Stereogenic Center at One of the Ethylene Bridges

Helvetica Chimica Acta

DOI

2010

Scaparvin A, A Novel Caged cis-Clerodane with an Unprecedented C-6/C-11 Bond, and Related Diterpenoids from the Liverwort Scapania parva

Organic Letters

DOI

2010

Mechanism Study of the Gold-Catalyzed Cycloisomerization of α-Aminoallenes: Oxidation State of Active Species and Influence of Counterion

The Journal of Physical Chemistry A

DOI

2009

Structure Determination of Grandifotane A from Khaya grandifoliola by NMR, X-ray Diffraction, and ECD Calculation

Organic Letters

DOI

2009

A revisit to proline-catalyzed aldol reaction: Interactions with acetone and catalytic mechanisms

Journal of Molecular Catalysis A Chemical

DOI

2009

A Density Functional Theory Study of the Water−Gas Shift Reaction Promoted by Neutral, Anionic, and Cationic Gold Dimers

The Journal of Physical Chemistry C

DOI

2009

Assembly and Stabilization of Multi-Amino Acid Zwitterions by the Zn(II) Ion: A Computational Exploration

The Journal of Physical Chemistry B

DOI

2009

A Density Functional Theory Study on the Ring-Opening Polymerization of d-Lactide Catalyzed by a Bifunctional-Thiourea Catalyst

Australian Journal of Chemistry

DOI

2009

Effects of side chains in gas-phase amino acids: Conformational analysis and relative stabilities

Journal of Molecular Structure THEOCHEM

DOI

2008

甲醇协助丙交酯开环聚合反应的理论研究

《高等学校化学学报》

2008

双官能团硫脲催化丙交酯开环聚合反应的理论研究

《化学学报》

2008

Adsorption of formaldehyde molecule on the pristine and silicon-doped boron nitride nanotubes

Chemical Physics Letters

DOI

2008

Insight into the mechanism of the Michael addition of malononitrile to α,β-unsaturated imides catalyzed by bifunctional thiourea catalysts

Tetrahedron Asymmetry

DOI

2007

胺类双官能团催化剂催化作用的理论研究

《山东大学》

2007

Theoretical study on the enantioselective α-amination reaction of 1,3-dicarbonyl compounds catalyzed by a bifunctional-urea

Tetrahedron Asymmetry

DOI

2007

Density functional theory study of BnC (n=1–7) clusters

Journal of Molecular Structure THEOCHEM

DOI

2007

A DFT study on the mechanism and regioselectivity of the tandem O-nitroso aldol/Michael reaction of nitrosobenzene and cyclohexenone

Journal of Molecular Structure THEOCHEM

DOI

2006

二元硅氧环与CFn（n=1～3）自由基反应的理论研究

《化学学报》

2006

Theoretical study of the bifunctional-urea catalyzed Michael reaction of 1,3-dicarbonyl compounds and nitroolefins: reaction mechanism and enantioselectivity

Tetrahedron Asymmetry

DOI

2006

Theoretical study of the dark-oxidation reaction mechanisms for organic polymers

Chemical Physics Letters

DOI

2006

Density functional theory study on the geometrical and electronic structures of a new thinnest boron nanotube

Journal of Materials Chemistry

DOI

2005

A New Pathway for Activation of C–C and C–H Bonds by Transition Metals in the Gas Phase

Australian Journal of Chemistry

DOI

2017

Computational Study on Rh(Ⅲ)-Catalyzed Synthesis of Indolines from Arylnitrones and Alkynes: Origin of Regioselectivity, and Role of Pivalic Acid Additive

《第十三届全国量子化学会议论文集——第一分会：电子结构理论与计算方法》

2017

Mechanism of the Photosensitizer-Free Visible Light-Mediated Gold-Catalyzed 1,2-Difunctionalization of alkynes

《第十三届全国量子化学会议论文集——第一分会：电子结构理论与计算方法》

2017

Mechanism and Regioselectivity in Gold(Ⅰ)-Catalyzed Intramolecular Hydroarylation of Alkynes

《第十三届全国量子化学会议论文集——第一分会：电子结构理论与计算方法》

2014

金催化烯烃的碳氧官能化反应机理的研究

《中国化学会第十二届全国量子化学会议论文摘要集》

2014

Theoretical Description for the Rh(I)-Catalyzed Borylation Mechanism of a Typical Aryl Cyanide

《中国化学会第十二届全国量子化学会议论文摘要集》

2005

双官能团硫脲(脲)衍生物催化机理的理论研究

《中国化学会第九届全国量子化学学术会议暨庆祝徐光宪教授从教六十年论文摘要集》