Shaowen Zhang

发表

Ab initio calculations and mechanism of two proton migration reactions of ethoxy radical

Q. Li, Yue Zhang, Shaowen Zhang, 2005 .

A computer-aided quantum chemical study of the N15− cluster

Wenguo Xu, Qian-shu Li, L. Cheng, 2003, Journal of molecular modeling.

Theoretical study on mechanism and rate constants for BN-barrelene stepwise hydrogenation reactions

Q. Li, Jianguo Zhang, Shaowen Zhang, 2006 .

A theoretical study on the structures and heats of hydrogenation of the BN-analogs of barrelene

Q. Li, Jianguo Zhang, Shaowen Zhang, 2005 .

OXIDATION MECHANISM OF THE BUTADIYNYL RADICAL, C4H: ANALOGUE OF C2H OR NOT?

Yi‐hong Ding, Shaowen Zhang, Weifang Zhu, 2013 .

3D energetic metal-organic frameworks: synthesis and properties of high energy materials.

Y. Wang, Cai Qi, S. Pang, 2013, Angewandte Chemie.

A novel 3D metal-organic framework with helical structure: Synthesis and structure of [Ag4(tzdt)4(μ-tzdtH)2]n (tzdtH=1,3-thiazolidine-2-thione)

Ru-dan Huang, Hui Li, Shaowen Zhang, 2006 .

Dual-Site Fluorescent Probe to Monitor Intracellular Nitroxyl and GSH-GSSG Oscillations.

Xiaoling Zhang, Jing Jing, Shaowen Zhang, 2019, Analytical chemistry.

Theoretical study on reaction mechanism of isocyanate radical NCO with ethene

Yi‐hong Ding, Shaowen Zhang, A. Tang, 2009 .

An ignored but most favorable channel for NCO+C2H2 reaction.

Yi‐hong Ding, Chia-Chung Sun, Shaowen Zhang, 2006, The Journal of chemical physics.

Formation of aqueous-phase sulfate during the haze period in China: Kinetics and atmospheric implications

Shi‐Lu Chen, Yun‐Hong Zhang, X. Zeng, 2018 .

Specific and sensitive imaging of basal cysteine over homocysteine in living cells

Xiaoling Zhang, Bingpeng Guo, Jing Jing, 2018, RSC advances.

A displacement-type fluorescent probe reveals active species in the coordinative polymerization of olefins

F. Gao, Chao Yu, Xiaofang Li, 2018 .

On‐Water Polymerization of Phenylacetylene Catalyzed by Rh Complexes Bearing Strong π‐Acidic Dibenzo[a,e]cyclooctatetraene Ligand

Xiao Feng, Yuping Dong, Xiaofang Li, 2017 .

Atmospheric degradation mechanism of benzyl peroxy radical: A theoretical study

Shaowen Zhang, Cuihong Sun, B. Feng, 2019, Atmospheric Environment.

Dual Level Direct ab Initio and Density-Functional Theory Dynamics Study on the Unimolecular Decomposition of CH3OCH2 Radical

Q. Li, Shaowen Zhang, †§ and Yue Zhang, 2004 .

Theoretical investigation on the reaction mechanism and kinetics of benzyl alcohol with OH radical

Shaowen Zhang, Cuihong Sun, Liqiang Lv, 2016, Theoretical Chemistry Accounts.

Theoretical Study on the Reaction Mechanism and Kinetics of Criegee Intermediate CH2OO with Acrolein.

Shaoyan Zhang, Shaowen Zhang, Jun-Ming Yue, 2018, The journal of physical chemistry. A.

Initial growth mechanisms of ZrO2 and TiO2 thin films using cycloheptatrienyl–cyclopentadienyl heteroleptic precursors: A comparative study by density functional theory

Jie Ren, Shaowen Zhang, Guangfen Zhou, 2013 .

Electrochemical deposition of polyaniline nanosheets mediated by sulfonated polyaniline functionalized graphenes

L. Qu, G. Shi, H. Bai, 2011 .

Selective 3,4-polymerization mechanism of isoprene catalyzed by rare earth alkyl complexes

Y. Liu, Xiaofang Li, Shaowen Zhang, 2014, Chemical Research in Chinese Universities.

In situ ligand and complex transformation of an iron(III) Schiff base complex: structural evidence and theoretical calculations.

Gui-lei Liu, Hui Li, Shaowen Zhang, 2012, Dalton transactions.

NO2-catalyzed deep oxidation of methanol : Experimental and theoretical studies

Wenjian Liu, N. Yan, Y. Kou, 2006 .

Direct Ab Initio Dynamics Study for the Hydrogen Abstraction Reaction: CH $$_{2} ({^{3}}B_{1})$$ + H2CO $$\rightarrow $$ CH3 + CHO

Chaoyang Wang, Q. Li, Yue Zhang, 2006 .

Direct ab initio dynamics study on the rate constants and kinetics isotope effects of CH(3)O+H-->CH(2)O+H(2) reaction.

Q. Li, Yue Zhang, Shaowen Zhang, 2004, The Journal of chemical physics.

Ab initio and direct dynamics study on the hydrogen abstraction reaction C2H3 + HCHO

Q. Li, Yue Zhang, Shaowen Zhang, 2004 .

Ab initio study for the hydrogen abstraction reaction C2H5+H→C2H4+H2

Q. Li, Yue Zhang, Shaowen Zhang, 2004 .

Synergistic Strategy of Manipulating the Number of Selenophene Units and Asymmetric Central Core of Small Molecular Acceptors Enables Polymer Solar Cells with 17.5% Efficiency.

A. Mahmood, H. Woo, Qiaoshi An, 2021, Angewandte Chemie.

A Synergistic Strategy of Manipulating the Number of Selenophene Units and Dissymmetric Central Core of Small Molecular Acceptors Enables Polymer Solar Cells with 17.5 % Efficiency

A. Mahmood, H. Woo, Qiaoshi An, 2021, Angewandte Chemie.

Atmospheric reaction of Cl + methacrolein: a theoretical study on the mechanism, and pressure- and temperature-dependent rate constants.

Shaowen Zhang, Baoen Xu, Cuihong Sun, 2014, The journal of physical chemistry. A.

Theoretical investigation of the decarboxylation reaction of CH3CO2 radical

Q. Li, Shaowen Zhang, Se Li, 2008 .

Reaction-path dynamics and theoretical rate constants for the reaction CH4 + O3 HOOO + CH3

Q. Li, Jing Yang, Shaowen Zhang, 2007 .

Functionalization Methodology for Synthesis of Silane-End-Functionalized Linear and Star Poly(aryl isocyanide)s by Combination of Cationic Polymerization and Hydrosilylation Reaction

Xiaofang Li, Shaowen Zhang, Jupeng Chen, 2021, Macromolecules.

Triplet potential energy surface for BH2N: A DFT study

Q. Li, Jianguo Zhang, Shaowen Zhang, 2005 .

The structure of acetyl tetroxide intermediate: A theoretical study

Q. Li, Shaowen Zhang, Q. Luo, 2006 .

Gaseous reaction mechanism between two H(2)CN radicals.

Yi‐hong Ding, Shaowen Zhang, A. Tang, 2009, Physical chemistry chemical physics : PCCP.

Understanding the inconsistency between mechanism and rate constants of acetylene ozonolysis

Shaowen Zhang, Dongtong Wang, Wang Zelin, 2019, IOP Conference Series: Earth and Environmental Science.

Mechanisms and kinetics for preparing carbohydrazide by reacting dimethyl carbonate with hydrazine: A theoretical study

Li Yang, Tonglai Zhang, Jianguo Zhang, 2008 .

DFT and ab initio direct dynamics study on the reaction of H2 loss reaction from H2BNH2

Q. Li, Jianguo Zhang, Shaowen Zhang, 2005 .

Design, Synthesis and Photophysical Properties of Chlorinated Small Molecule Non-fullerene Acceptor Based on Benzotriazole for Organic Solar Cells

Jin-liang Wang, Can Yang, Shaowen Zhang, 2020, IOP Conference Series: Earth and Environmental Science.

A comparative theoretical study on energetic substituted 1,2,3- and 1,2,4-triazoles: the azido-cyclization mechanism and the effect of solvent

Tonglai Zhang, Kun Wang, Jianguo Zhang, 2015 .

Controlled Polymerization of Isoprene with Chromium-Based Metal-Organic Framework Catalysts: Switching from Cyclic to cis-1,4-Selectivity Depending on Activator.

Chao Yu, Xiaofang Li, Shaowen Zhang, 2018, Macromolecular rapid communications.

Initial Surface Reactions Mechanisms of Atomic Layer Deposition TiO2Using Ti(OCH3)4 and H2O as Precursors

Jie Ren, Shaowen Zhang, Guangfen Zhou, 2013 .

Initial Surface Reactions Mechanisms of Atomic Layer Deposition TiO2 on H/Si(100)-2×1 Surface

Jie Ren, Shaowen Zhang, Guangfen Zhou, 2013 .

cis‐1,4‐specific carbocationic polymerization and copolymerization of 1,3‐dienes initiated by (S,S)‐bis(oxazolinylphenyl)amine chromium complexes

Tingting Li, Xiaofang Li, Shaowen Zhang, 2017 .

Chiral Palladium(II) and Nickel(II) Complexes with C2-Symmetrical Tridentate Bis(oxazoline) Ligands: Synthesis, Characterization, and Catalytic Norbornene Polymerization

Gaixia Du, Xiaofang Li, Shaowen Zhang, 2014 .

Quasi-Living trans-1,4-Polymerization of Isoprene by Cationic Rare Earth Metal Alkyl Species Bearing a Chiral (S,S)-Bis(oxazolinylphenyl)amido Ligand

Gaixia Du, Zhengguo Lin, Xiaofang Li, 2013 .

Ab initio study on the decomposition of first excited state HOOO radicals.

Q. Li, Jing Yang, Shaowen Zhang, 2007, Physical chemistry chemical physics : PCCP.

A DFT and ab initio direct dynamics study on the hydrogen abstract reaction of H3BNH3 → H2 + H2BNH2

Q. Li, Jianguo Zhang, Shaowen Zhang, 2005 .

Direct ab initio dynamics studies of the reactions of HNO with H and OH radicals

M. Nguyen, T. Truong, J. Peeters, 2004 .

Density functional theory and ab initio direct dynamics study on the reaction of BCl3+H→BCl2+HCl

Q. Li, Yue Zhang, C. Wang, 2003 .

Unprecedentedly High Activity and/or High Regio-/Stereoselectivity of Fluorenyl-Based CGC Allyl-Type η3:η1-tert-Butyl(dimethylfluorenylsilyl)amido Ligated Rare Earth Metal Monoalkyl Complexes in Olefin Polymerization

N. Qiu, Xiaofang Li, Shaowen Zhang, 2019, Polymers.

Cis-1,4-Polymerization of Isoprene by 1,3-Bis(oxazolinymethylidene)isoindoline-Ligated Rare-Earth Metal Dialkyl Complexes

Chao Yu, Xiaofang Li, Shaowen Zhang, 2017, Polymers.

Cis-1,4-Polymerization of Isoprene Catalyzed by 1,3-Bis(2-pyridylimino)isoindoline-Ligated Rare-Earth-Metal Dialkyl Complexes

Xiaofang Li, Shaowen Zhang, Fanzhi Yang, 2017 .

Copolymerization of isoprene with ethylene catalyzed by cationic half‐sandwich fluorenyl scandium catalysts

Gaixia Du, Yuping Dong, Chao Yu, 2015 .

Direct ab initio dynamics studies of the hydrogen abstraction reactions of hydrogen atom with n-propyl radical and isopropyl radical

Shaowen Zhang, Yue Zhang, Q. Li, 2005, Journal of molecular modeling.

A theoretical study on the potential energy surface of the NCS+NO2 reaction

Xuri Huang, Chia-Chung Sun, Shaowen Zhang, 2004 .

Syndiotactic polymerization of styrene and copolymerization with ethylene catalyzed by chiral half-sandwich rare-earth metal dialkyl complexes

Xiaofang Li, Shaowen Zhang, Xinwen Yan, 2018, Chinese Journal of Polymer Science.

Cationic half-sandwich rare-earth metal alkyl species catalyzed polymerization and copolymerization of aryl isocyanides possessing polar, bulky, or chiral substituents

L. Wang, Yuping Dong, Xiaofang Li, 2018 .

Regio- and Stereochemical Control in Ocimene Polymerization by Half-Sandwich Rare-Earth Metal Dialkyl Complexes.

Gaixia Du, Xiaofang Li, Shaowen Zhang, 2016, Macromolecular rapid communications.

Aluminum Effects in the Syndiospecific Copolymerization of Styrene with Ethylene by Cationic Fluorenyl Scandium Alkyl Catalysts

Xiaoying Wang, Z. Hou, Y. Liu, 2013 .

Pd-Catalyzed C(sp3)-C(sp2) cross-coupling of Y(CH2SiMe3)3(THF)2 with vinyl bromides and triflates.

Xiaofang Li, Wenchao Wu, Shaowen Zhang, 2016, Organic & biomolecular chemistry.

Palladium-catalyzed C(sp(3))-C(sp(2)) cross-coupling of homoleptic rare-earth metal trialkyl complexes with aryl bromides: efficient synthesis of functionalized benzyltrimethylsilanes.

Xiaofang Li, Shaowen Zhang, Bo Yao, 2016, Chemical communications.

Theoretical studies on the tautomerism and intramolecular hydrogen shifts of 5-Amino-tetrazole in the gas phase

Y. Shu, Li Yang, Tonglai Zhang, 2009, Journal of molecular modeling.

The catalytic mechanism of intramolecular alkylation of α-diimine by rare earth complexes: a DFT study

Y. Liu, Xiaofang Li, Shaowen Zhang, 2013, Theoretical Chemistry Accounts.

Transition metal complexes bearing tridentate ligands for precise olefin polymerization

Chao Yu, Xiaofang Li, Shaowen Zhang, 2016 .

Cationic Tropidinyl Scandium Catalyst: A Perfectly Acceptable Substitute for Cationic Half-Sandwich Scandium Catalysts in cis-1,4-Polymerization of Isoprene and Copolymerization with Norbornene

Gaixia Du, Yin-shuang Long, Xiaofang Li, 2014 .

Living 3,4-Polymerization of Isoprene by Cationic Rare Earth Metal Alkyl Complexes Bearing Iminoamido Ligands

Xiao Liu, Gaixia Du, Z. Hou, 2011 .

A highly active chiral (S,S)-bis(oxazoline) Pd(II) alkyl complex/activator catalytic system for vinyl polymerization of norbornene in air and water

Xiaofang Li, Shaowen Zhang, Y. Huang, 2017 .

1,4-Selective Polymerization of 1,3-Cyclohexadiene and Copolymerization with Styrene by Cationic Half-Sandwich Fluorenyl Rare Earth Metal Alkyl Catalysts

Gaixia Du, Yin-shuang Long, Yuping Dong, 2015 .

Bis(imino)diphenylamido rare-earth metal dialkyl complexes: synthesis, structure, and catalytic activity in living ring-opening ε-caprolactone polymerization and copolymerization with γ-butyrolactone.

Gaixia Du, Zhengguo Lin, Yuping Dong, 2013, Dalton transactions.

Polymerization of phenylacetylenes by binuclear rhodium catalysts with different para-binucleating phenoxyiminato linkages

Yuping Dong, N. Qiu, Xiaofang Li, 2019, Polymer Chemistry.

Syndiospecific Polymerization of oMethoxystyrene and Its Silyloxy or Fluorine-Substituted Derivatives by HNC-Ligated Scandium Catalysts: Synthesis of Ultrahigh-Molecular-Weight Functionalized Polymers

Xiaofang Li, Chuang Song, Feng Gao, 2021, Macromolecules.

Palladium‐Catalyzed C(sp3)—C(sp2) Cross‐Coupling of Homoleptic Rare‐Earth Metal Trialkyl Complexes with Aryl Bromides: Efficient Synthesis of Functionalized Benzyltrimethylsilanes.

Xiaofang Li, Shaowen Zhang, Bo Yao, 2016 .

Theoretical kinetic study on the decomposition of 1,5-diaminotetrazole

Tonglai Zhang, Kun Wang, Jianguo Zhang, 2015 .

The mechanism and kinetics of decomposition of 5-aminotetrazole

Tonglai Zhang, Jianguo Zhang, Shaowen Zhang, 2008, Journal of molecular modeling.

Theoretical study on novel nitrogen-rich energetic compounds of bis(amino)-azobis(azoles) with tetrazene unit

Danli Zeng, Zhi-Min Li, Tonglai Zhang, 2012, Journal of Molecular Modeling.

Silylium cation initiated sergeants-and-soldiers type chiral amplification of helical aryl isocyanide copolymers

Yuping Dong, Xiaofang Li, Shaowen Zhang, 2020 .

AliBu3: unprecedented main-group metal catalyst for helical sense-selective polymerization of chiral aryl isocyanides and copolymerization with achiral aryl isocyanides

Yuping Dong, Xiaofang Li, Zhi Yang, 2019, Materials Chemistry Frontiers.

[Ph3 C][B(C6 F5 )4 ]: A Highly Efficient Metal-Free Single-Component Initiator for the Helical-Sense-Selective Cationic Copolymerization of Chiral Aryl Isocyanides and Achiral Aryl Isocyanides

Xiaofang Li, An Liu, Yuping Dong, 2018, Angewandte Chemie.

[Ph3 C][B(C6 F5 )4 ]: A Highly Efficient Metal-Free Single-Component Initiator for the Helical-Sense-Selective Cationic Copolymerization of Chiral Aryl Isocyanides and Achiral Aryl Isocyanides.

Yuping Dong, Xiaofang Li, An Liu, 2018, Angewandte Chemie.

Theoretical study on the tautomerization of 1,5-diaminotetrazole (DAT)

Tonglai Zhang, Kun Wang, Jianguo Zhang, 2014, Journal of Molecular Modeling.

First-Principle Calculation for a Novel Hydrogen Storage Material Mg2Ni and its Substitutes

Y. Liu, Shijun Zheng, Lingpeng Meng, 2013 .

DFT study on structures and vibrational frequencies of (CS2)2

Shaowen Zhang, B. Mao, Chenggang Zhang, 1999 .

The DFT Studies on a Novel Hydrogen Storage Material Mg12Ni6-xCrx(x=0,1)

Y. Liu, Shijun Zheng, Lingpeng Meng, 2013 .

Taming Dinitramide Anions within an Energetic Metal–Organic Framework: A New Strategy for Synthesis and Tunable Properties of High Energy Materials

K. Dong, S. Pang, Shenghua Li, 2016 .

Theoretical studies of arsenite adsorption and its oxidation mechanism on a perfect TiO2 anatase (1 0 1) surface

Z. Pan, Z. Wei, Shaowen Zhang, 2011 .

Adhesion strength, stability and electronic properties of TiB2 reinforced copper matrix composites: A first principles study

Zhibo Zhang, K. Zheng, Yao Shu, 2021, Physica B: Condensed Matter.

Interactions and physical properties of energetic poly-(phthalazinone ether sulfone ketones) (PPESKs) and ε-hexanitrohexaazaisowurtzitane (ε-CL-20) based polymer bonded explosives: a molecular dynamics simulations

Y. Shu, Jichuan Huo, Ning Liu, 2019, Structural Chemistry.

Predicting energies and geometries for reactions involved in atmosphere chemistry: a comparison study between hybrid DFT methods

Q. Li, Shaowen Zhang, X. Xu, 2004 .

Theoretical study on reaction mechanism and kinetics of HNCS with CN.

Y. Liu, Yanli Zeng, Lingpeng Meng, 2013, The Journal of chemical physics.

Kinetics of hydrogen abstraction O(3P) + alkane → OH + alkyl reaction class: An application of the reaction class transition state theory

Lam K. Huynh, T. Truong, Shaowen Zhang, 2008 .

Theoretical investigation on the reaction mechanism and kinetics of a Criegee intermediate with ethylene and acetylene.

Shaowen Zhang, Baoen Xu, Cuihong Sun, 2019, Physical chemistry chemical physics : PCCP.

Theoretical study on the methyl radical with chlorinated methyl radicals CH3−nCln (n = 1, 2, 3) and CCl2

Jian Wang, Chia-Chung Sun, Yi-Hong Ding, 2007, J. Comput. Chem..

THEORETICAL INVESTIGATION ON THE GAS PHASE THERMOLYSIS MECHANISM AND RATE CONSTANT OF DIACETAMIDE

W. Feng, Yan Wang, Shaowen Zhang, 1999 .

Theoretical study of the mechanism and rate constant of the dimerization of isocyanic acid

W. Feng, Yan Wang, Shaowen Zhang, 1995 .

Thermolysis mechanism of N‐acetylpropanamide

Shaowen Zhang, F. He, 1999 .

Understanding the oxidation of the tricarbon radical C3H: A reaction pathway survey

Yi‐hong Ding, Lin Jin, Shaowen Zhang, 2013 .

Theoretical study on reaction mechanism of fulminic acid HCNO with CN radical.

Yi‐hong Ding, Shaowen Zhang, A. Tang, 2008, The journal of physical chemistry. A.

Kinetics of Hydrogen Abstraction Reaction Class H + H−C(sp3): First-Principles Predictions Using the Reaction Class Transition State Theory

T. Truong, Shaowen Zhang, 2003 .

Theoretical study on the mechanism and kinetics for the reaction of HNCO with CN radical: HNCO + CN → HCN + NCO or HNCO + CN → HNCN + CO?

Y. Liu, Xiaoyan Li, Lingpeng Meng, 2013 .

Searching for long intra-annular nitrogen chains: Synthesis, characterization, and decomposition mechanism of tetrazolo[1,5-b][1,2,4]triazines

S. Pang, Shenghua Li, Xiuxiu Zhao, 2016 .

A direct ab initio dynamics study of the initial decomposition steps of gas phase 1,3,3-trinitroazetidine

Qinghua Zhao, Shaowen Zhang, Q. Li, 2005 .

A theoretical investigation on the atmospheric degradation of the radical: reactions with NO, NO2, and NO3.

Shaowen Zhang, Cuihong Sun, B. Feng, 2020, Environmental science. Processes & impacts.

The reaction of the aminoboranylidene-iminoborane isomerization: a CASSCF direct dynamics study

Q. Li, Jianguo Zhang, Shaowen Zhang, 2006, Journal of molecular modeling.

Theoretical study on the structures of boron-nitrogen alternant open chain compounds

Q. Li, Jianguo Zhang, Shaowen Zhang, 2005 .

Direct dynamics study on the reaction of acetaldehyde with ozone

Jing Yang, Shaowen Zhang, Qian Shu Li, 2008, J. Comput. Chem..

A simple method for the prediction of the detonation performances of metal-containing explosives.

Y. Wang, S. Pang, Shenghua Li, 2014, The journal of physical chemistry. A.

Fine-Tuning the Energetic Properties of Complexes through Ligand Modification

S. Pang, Shenghua Li, Shaowen Zhang, 2018 .

Theoretical Study of Energetic Complexes (III): Bis‐(5‐nitro‐2H‐tetrazolato‐N2)tetraammine Cobalt(III) Perchlorate (BNCP) and Its Transition Metal (Ni/Fe/Cu/Zn) Perchlorate Analogues

Y. Shu, Tonglai Zhang, Jing-Yan Shang, 2012 .

Theoretical study of PhCH2O4CH2Ph: intermediate in the PhCH2O2 self-reaction

Yao Shu, Shaowen Zhang, B. Feng, 2019, Structural Chemistry.

Theoretical Study of Mechanisms, Thermodynamics, and Kinetics of the Decomposition of Gas-Phase α-HMX (Octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine)

Hung N. Nguyen, T. Truong, Shaowen Zhang, 2003 .

The influence of ring strain and conjugation on the reaction energies of the NO2 fission of nitramines: A DFT study

Q. Li, Qinghua Zhao, Shaowen Zhang, 2005 .

A theoretical study: Structures and stabilities of alternant BN open-chain compounds of B3N3H8 rotamers

Q. Li, Jianguo Zhang, Shaowen Zhang, 2005 .

Kinetics of enol formation from reaction of OH with propene.

P. R. Westmoreland, E. Eddings, Hongzhi R. Zhang, 2009, The journal of physical chemistry. A.

Theoretical study of the decomposition mechanisms and kinetics of the ingredients RDX in composition B

Zunning Zhou, Tonglai Zhang, Kun Wang, 2012, Journal of Molecular Modeling.

A comparative study on the coordination of diglycolamide isomers with Nd(iii): extraction, third phase formation, structure, and computational studies

Yaoyang Liu, Shaowen Zhang, Cai-shan Jiao, 2021, RSC advances.

Self-Catalytic Reaction of SO3 and NH3 To Produce Sulfamic Acid and Its Implication to Atmospheric Particle Formation.

Shaowen Zhang, Hanna Vehkamäki, Theo Kurtén, 2018, Journal of the American Chemical Society.

Molecular dynamics simulation on the physical properties of the novel designed poly-(phthalazinone ether sulfone ketone) (PPESK)

Jichuan Huo, Yingying Lu, Ning Liu, 2018, Computational Materials Science.

Direct ab initio dynamics studies of N+H2↔NH+H reaction

T. Truong, Shaowen Zhang, 2000 .

Theoretical study on the initial reaction mechanisms of ansa-metallocene zirconium precursor on hydroxylated Si(1 0 0) surface

Jie Ren, Shaowen Zhang, Guangfen Zhou, 2016, Journal of Molecular Modeling.

Initial growth mechanism of atomic layer deposited titanium dioxide using cyclopentadienyl-type precursor: A density functional theory study

Jie Ren, Shaowen Zhang, Guangfen Zhou, 2012 .

Clustering mechanism of oxocarboxylic acids involving hydration reaction: Implications for the atmospheric models.

Yunhong Zhang, Maofa Ge, H. Vehkamäki, 2018, The Journal of chemical physics.

Combustion modeling and kinetic rate calculations for a stoichiometric cyclohexane flame. 1. Major reaction pathways.

Lam K. Huynh, Hongzhi R. Zhang, Zhiwei Yang, 2007, The journal of physical chemistry. A.

A theoretical study on the β-C–H fission of ethoxy radical

Q. Li, Yue Zhang, Shaowen Zhang, 2004 .

Direct Dynamics Study on the Hydrogen Abstraction Reaction N2H4 + H → N2H3 + H2

Xin Zhang, Q. Li, Shaowen Zhang, 2003 .

Super-long aligned TiO2/carbon nanotube arrays

L. Qu, L. Dai, G. Shi, 2010, Nanotechnology.

Regioisomer-Free Difluoro-Monochloro Terminal-based Hexa-Halogenated Acceptor with Optimized Crystal Packing for Efficient Binary Organic Solar Cells.

A. Mahmood, H. Woo, Qiaoshi An, 2022, Angewandte Chemie.

Systematic kinetic study of H2 release from the dimer of lithium amidoborane (LiNH2BH3)2

Tonglai Zhang, Kun Wang, Jianguo Zhang, 2013, Structural Chemistry.

Novel theoretical studies of the dehydrogenation of LiBH2NH3

Li Yang, Tonglai Zhang, Kun Wang, 2013 .

Direct dynamics study on the hydrogen abstraction reaction CH2O + HO2 --> CHO + H2O2.

Xin Zhang, Q. Li, Shaowen Zhang, 2005, The journal of physical chemistry. A.

An Investigation of the Mechanism on Interfacial Charge Transformation of the TiB2/Cu Composites Studied by the First Principles

F. Yin, F. Pan, K. Zheng, 2021 .

A theoretical study on the potential energy surface of the NCO+NO2 reaction

Xuri Huang, Shaowen Zhang, Zhi-gang Wei, 2004 .

Computational Science and Engineering On-line: an integrated web-based environment for multi-scale modelling of complex reaction systems

Thanh N. Truong, Chaiwoot Boonyasiriwat, Tom Cook, 2004 .

Theoretical study on the azido-cyclization of 3,6-diazido-1,2,4,5-tetrazine (DAT) with the dimethylsulfoxide (DMSO) solvent

Tonglai Zhang, Kun Wang, Jianguo Zhang, 2015 .

Calculations predict a novel desired compound containing eight catenated nitrogen atoms: 1-amino-tetrazolo-[4,5-b]tetrazole

Kun Wang, Jianguo Zhang, Jianmei Jiao, 2014 .

First-principles study of energetic complexes (II): (5-cyanotetrazolato-N2) pentaammine cobalt (III) perchlorate (CP) and Ni, Fe and Zn analogues

Zunning Zhou, Tonglai Zhang, Jing-Yan Shang, 2012, Journal of Molecular Modeling.

Unprecedented Application of Covalent Organic Frameworks for Polymerization Catalysis: Rh/TPB-DMTP-COF in Polymerization of Phenylacetylene and Its Functional Derivatives.

Yuping Dong, Xiaofang Li, Shaowen Zhang, 2021, ACS applied materials & interfaces.

Novel potential high-nitrogen-content energetic compound: Theoretical study of diazido-tetrazole (CN10)

Tonglai Zhang, Jianguo Zhang, Shaowen Zhang, 2011 .

Self-Catalytic Reaction of SO3 and NH3 To Produce Sulfamic Acid and Its Implication to Atmospheric Particle Formation.

Maofa Ge, J. S. Francisco, H. Vehkamäki, 2018, Journal of the American Chemical Society.

Direct DFT dynamics study of the addition reaction CF2CHF+H→product

Q. Li, Shaowen Zhang, Rui-Hua Lü, 2004 .

The stability and decomposition mechanism of the catenated nitrogen compounds

Cai Qi, S. Pang, Shenghua Li, 2015, Journal of Molecular Modeling.