Tao Yu

发表

Free-energy landscape for peptide amphiphile self-assembly: stepwise versus continuous assembly mechanisms.

G. Schatz, Tao Yu, 2013, The journal of physical chemistry. B.

Rational design of a novel indole-based microporous organic polymer: enhanced carbon dioxide uptake via local dipole–π interactions

Tao Yu, Guanjun Chang, Zhen-Peng Shang, 2016 .

VERTICAL ALIGNMENT FILM FOR LIQUID CRYSTALS FABRICATED BY MONOMER PHOTOCROSSLINKING

L. Xuan, Tao Yu, S. Ruan, 2003 .

Dynamics connect substrate recognition to catalysis in protein kinase A.

Tao Yu, Gianluigi Veglia, Susan S. Taylor, 2010, Nature chemical biology.

From simple, neutral triatomic molecules to complex chemistry.

R. Weiss, Tao Yu, Rodrigo Cristiano, 2010, Chemical Society reviews.

Hexahydrated Mg2+ Binding and Outer-Shell Dehydration on RNA Surface.

Shi-jie Chen, Tao Yu, 2018, Biophysical journal.

Multipath variational transition state theory: rate constant of the 1,4-hydrogen shift isomerization of the 2-cyclohexylethyl radical.

D. Truhlar, Jingjing Zheng, Tao Yu, 2012, The journal of physical chemistry. A.

Dependence of Vibronic Coupling on Molecular Geometry and Environment: Bridging Hydrogen Atom Transfer and Electron–Proton Transfer

S. Hammes-Schiffer, Tao Yu, A. Soudackov, 2015, Journal of the American Chemical Society.

Zirconocene-mediated intermolecular coupling of Si-tethered diynes with alkynes, ketones, aldehydes, and isocyanates by means of novel skeletal rearrangement of zirconacyclobutene-silacyclobutene and zirconacyclohexadiene-silacyclobutene fused-ring intermediates.

Tao Yu, Z. Xi, L. Deng, 2005, Chemistry.

Chitosan Grafted With β-Cyclodextrin: Synthesis, Characterization, Antimicrobial Activity, and Role as Absorbefacient and Solubilizer

Tao Yu, Yanhua Li, Wenqiang Cui, 2019, Front. Chem..

1‐(6‐Chloropyridin‐3‐ylmethyl)‐1H‐benzimidazole

Tao Yu, G. Song, M. Cai, 2006 .

Synthesis, characterization, electrochemistry, and photophysical studies of triarylamine-containing zinc(II) diimine bis-thiolate complexes.

Tao Yu, Vonika Ka-Man Au, M. Chan, 2015, Dalton transactions.

Nanozeolite-assembled interface towards sensitive biosensing

J. Kong, J. Marty, Tao Yu, 2007 .

Band Jahn–Teller effects in Rh2TMSn full Heusler compounds

Tao Yu, Wenxu Zhang, Zhishuo Huang, 2015 .

Synthesis and characterization of ABC ternary segregated H-shaped copolymers

Ruke Bai, Tao Yu, L. An, 2006 .

Synthesis and structure-activity relationship of ethacrynic acid analogues on glutathione-s-transferase P1-1 activity inhibition.

Guisen Zhao, Tao Yu, Xiaobing Wang, 2005, Bioorganic & medicinal chemistry.

Synthesis, Characterization and Surface Activity of Alkyl m-Xylene Sulfonate Isomers

Guoquan Li, Tao Yu, W. Tong, 2012 .

A strategy for predicting the crystal structure of energetic N-oxides based on molecular similarity and electrostatic matching

Tao Yu, Yingzhe Liu, Yilin Cao, 2021 .

Investigation of porous silicon by scanning tunneling microscopy and atomic force microscopy

L. Heikkilä, Tao Yu, R. Laiho, 1994 .

Steered molecular dynamics studies of the potential of mean force for peptide amphiphile self-assembly into cylindrical nanofibers.

George C Schatz, Tao Yu, One-Sun Lee, 2013, The journal of physical chemistry. A.

Multistructural variational transition state theory: kinetics of the hydrogen abstraction from carbon-2 of 2-methyl-1-propanol by hydroperoxyl radical including all structures and torsional anharmonicity.

D. Truhlar, Xuefei Xu, Tao Yu, 2012, The journal of physical chemistry. A.

Study on the computer-aided design of high energetic compounds based on the 1,2,3,4-tetrazine-1,3-dioxide frame

Tao Yu, P. Lian, Yingzhe Liu, 2017, Journal of Molecular Modeling.

A New Synthetic Method of (Z)-4-Aryl-but-2-en-1-ols via Suzuki-Miyaura Cross-Coupling Reaction of 4-Substituted 1,2-Oxaborol-2(5H)-ols with Benzyl Bromides

Tao Yu, Xin‐Yan Wu, Jun Yang, 2012 .

Adsorption behaviour of Eu(III) on natural bamboo fibres: effects of pH, humic acid, contact time, and temperature

Tao Yu, Zeyuan Wang, Jun Yang, 2019, Nuclear Science and Techniques.

Kinetics of the NH2 + NO Reaction: Effects of Temperature on the Total Rate Constant and the OH/H2O Branching Ratio

Tao Yu, E. Diau, Ming-Chang Lin, 1994 .

Adsorption kinetics of Eu(III) and Am(III) onto bentonite: analysis and application of the liquid membrane tidal diffusion model

Tao Yu, Jianhua Ye, Zheting Xu, 2019, Journal of Radioanalytical and Nuclear Chemistry.

Sorption kinetic studies of U(VI) on inorganic and organic modified red earth: comparison of linear and non-linear methods

Tao Yu, T. Pan, Hong Li, 2017, Journal of Radioanalytical and Nuclear Chemistry.

Statistical thermodynamics of 1-butanol, 2-methyl-1-propanol, and butanal.

D. Truhlar, Tao Yu, Ewa Papajak, 2012, The Journal of chemical physics.

Fluorescence sensing of fluoride ions and N, N- dimethylformamide by novel luminescent lanthanide(III) xerogels

Xudong Yu, Tao Yu, Yajuan Li, 2018, Journal of Luminescence.

Ordered and layered structure of liquid nitromethane within a graphene bilayer: toward stabilization of energetic materials through nanoscale confinement

Tao Yu, Ying Kang, Yingzhe Liu, 2015, Journal of Molecular Modeling.

Synthesis of microspherical polyaniline/graphene composites and their application in supercapacitors

Tao Yu, S. Guan, P. Zhu, 2016 .

In situ Formation of Thermally Stable, Room-Temperature Ionic Liquids from CS2 and Amidine/Amine Mixtures.

R. Weiss, Tao Yu, Taisuke Yamada, 2010 .

Eu3+ based mesoporous hybrid material with tunable multicolor emission modulated by fluoride ion: application for selective sensing toward fluoride ion

Xudong Yu, Tao Yu, Yajuan Li, 2017 .

Extraction and separation of thorium(IV) and uranium(VI) with 4-oxaheptanediamide into ionic liquid system from aqueous solution

Tao Yu, Peng Ren, R. Hua, 2020, Chemical Papers.

Study on the Sorption of Eu(III) onto Natural Red Earth and its Solid Components by Linear and Non‐Linear Methods

Tao Yu, Hong Li, Shimin Liang, 2017 .

Adsorption behaviors of Eu(III) on granite: batch, electron probe micro-analysis and modeling studies

Tao Yu, Chunli Liu, Q. Fan, 2019, Environmental Earth Sciences.

Comparative thermal research on chlorodinitromethyl and fluorodinitromethyl explosophoric groups based insensitive energetic materials

Tao Yu, Zijun Wang, Jing Zhou, 2021 .

Pendant Chains Are Not Just Decorations: Investigation of Structure‐Property Relationships of Azido Oxetane Polymers

Tao Yu, Yingzhe Liu, W. Lai, 2018 .

A new photo-responsive organogel containing benzophenone group

Xudong Yu, Tao Yu, Yajuan Li, 2014 .

High-energetic and low-sensitive 1,3,5-triamino 2,4,6-trinitrobenzene (TATB) crystal: first principles investigation and Hirshfeld surface analysis

Tao Yu, Zhao-yong Yang, Yingzhe Liu, 2021 .

Design and theoretical study of 15 novel high energy density compounds

Weiliang Zhu, Tao Yu, P. Lian, 2014, Journal of Molecular Modeling.

Preparation and fluorescent recognition properties for fluoride of a nanostructured covalently bonded europium hybrid material

Xudong Yu, Tao Yu, Yajuan Li, 2015 .

1,3‐Bis(tributylstannyl)‐2‐methylenepropane

Tao Yu, C. Knutson, 2008 .

Reversible, Room-Temperature, Chiral Ionic Liquids. Amidinium Carbamates Derived from Amidines and Amino-Acid Esters with Carbon Dioxide†

R. Weiss, Tao Yu, Taisuke Yamada, 2007 .

Synthesis of zwitterionic polymer by SET‐LRP at room temperature in aqueous

Tao Yu, Xiaojun Liu, W. Ding, 2011 .

Fabrication of nanohybrids assisted by protein-based materials for catalytic applications

Renliang Huang, W. Qi, R. Su, 2020, Catalysis Science & Technology.

Highly selective fluorescent sensing for fluoride based on a covalently bonded europium mesoporous hybrid material

Xudong Yu, Tao Yu, Yajuan Li, 2016 .

Syntheses of cyclic carbonates with amidinium halide catalysts in reusable, reversible, room-temperature ionic liquids or acetonitrile

R. Weiss, Tao Yu, 2012 .

Analysis of intermolecular interactions in homologous molecular crystals of energetic materials

Tao Yu, Yingzhe Liu, Yilin Cao, 2020 .

Deep red to near-infrared emitting rhenium(I) complexes: synthesis, characterization, electrochemistry, photophysics, and electroluminescence studies.

Tao Yu, Vonika Ka-Man Au, M. Chan, 2013, Chemistry.

Synthesis, Characterization and Surface Properties of Series Sulfobetaine Surfactants

Tao Yu, W. Ding, Huo-xin Luan, 2011 .

Interactions of Transition Metal Dichalcogenide Nanosheets With Mucin: Quartz Crystal Microbalance With Dissipation, Surface Plasmon Resonance, and Spectroscopic Probing

Renliang Huang, W. Qi, R. Su, 2019, Front. Chem..

Synthesis and thermal behaviors of 4-amino-3,5-dinitro-1H-pyrazole

Tao Yu, F. Zhao, J. Yi, 2012 .

Optical homogeneity of ADP crystals from rapid growth

B. Teng, Tao Yu, R. Rupp, 2010 .

Growth from the edges and inclusion defect of KDP crystal

B. Teng, Tao Yu, Degao Zhong, 2009 .

Attached culture of Chlamydomonas sp. JSC4 for biofilm production and TN/TP/Cu(II) removal

Shih‐Hsin Ho, Tao Yu, Jianfeng Chen, 2019, Biochemical Engineering Journal.

Comparative Studies on Thermal Decompositions of Dinitropyrazole-Based Energetic Materials

Tao Yu, Zi-hui Meng, Xiaolong Fu, 2021, Molecules.

Synthesis, thermal behavior, and application of 4-amino-3,5-dinitropyrazole lead salt

Tao Yu, F. Zhao, J. Yi, 2014, Journal of Thermal Analysis and Calorimetry.

Kinetic and thermodynamic study of Eu(III) sorption on natural red earth in South China

Tao Yu, Wang-suo Wu, Zhi-rong Liu, 2013, Korean Journal of Chemical Engineering.

Enantio- and diastereoselective additions to aldehydes using the bifunctional reagent 2-(chloromethyl)-3-(tributylstannyl)propene: application to a synthesis of the C16-C27 segment of bryostatin 1.

Tao Yu, G. E. Keck, M. Mclaws, 2005, The Journal of organic chemistry.

A turn-on fluorescent probe for tumor hypoxia imaging in living cells.

Yufang Xu, Tao Yu, X. Qian, 2015, Chemical communications.

Statistical thermodynamics of the isomerization reaction between n-heptane and isoheptane.

D. Truhlar, Jingjing Zheng, Tao Yu, 2012, Physical chemistry chemical physics : PCCP.

Multi-structural thermodynamics of C-H bond dissociation in hexane and isohexane yielding seven isomeric hexyl radicals.

Donald G Truhlar, Tao Yu, Jingjing Zheng, 2011, Physical chemistry chemical physics : PCCP.

Multi-structural variational transition state theory. Kinetics of the 1,4-hydrogen shift isomerization of the pentyl radical with torsional anharmonicity

D. Truhlar, Jingjing Zheng, Tao Yu, 2011 .

Practical methods for including torsional anharmonicity in thermochemical calculations on complex molecules: the internal-coordinate multi-structural approximation.

Donald G Truhlar, Tao Yu, Jingjing Zheng, 2011, Physical chemistry chemical physics : PCCP.

Predicting Molecular Crowding Effects in Ion-RNA Interactions.

Shi-jie Chen, Zhaojian He, Tao Yu, 2016, The journal of physical chemistry. B.

Structure–property relationship of nitramino oxetane polymers: a computational study on the effect of pendant chains

Tao Yu, Yingzhe Liu, W. Lai, 2019, RSC advances.

Application of the Modified Biochar from Sewage Sludge for Removal of Pb(II) from Aqueous Solution: Kinetics, Equilibrium and Thermodynamic Studies

Tao Yu, Zhenjun Wu, Z. Nan, 2018 .

Boron and nitrogen co-doped porous carbon with a high concentration of boron and its superior capacitive behavior

Tao Yu, S. Guan, Zhao Wang, 2017 .

Novel Energetic Coordination Polymers Based on 1,5-Di(nitramino)tetrazole With High Oxygen Content and Outstanding Properties: Syntheses, Crystal Structures, and Detonation Properties

Yiying Zhang, Tao Yu, Yanan Li, 2019, Front. Chem..

Molecular-Shape-Dominated Crystal Packing Features of Energetic Materials

Tao Yu, Yingzhe Liu, Yilin Cao, 2021 .

Deciphering Solvent Effect on Crystal Growth of Energetic Materials for Accurate Morphology Prediction

Tao Yu, F. Zhao, Yingzhe Liu, 2020 .

Exploration for the stabilities of CHN 7 and CN 7 - : A theoretical study on the formation and dissociation mechanisms

Tao Yu, Yingzhe Liu, W. Lai, 2018 .

Can N-oxidation alleviate the energy-safety contradiction of energetic materials?

Tao Yu, Yingzhe Liu, Yilin Cao, 2021 .

Roads to pentazolate anion: a theoretical insight

Tao Yu, Yingzhe Liu, Gan Ren, 2018, Royal Society Open Science.

Crystal morphology prediction of energetic materials grown from solution: insights into the accurate calculation of attachment energies

Tao Yu, F. Zhao, Shiyao Niu, 2019, CrystEngComm.

Balanced design for the feasible super rocket fuels: A first-principle study on gauche CHN7 and CHN3.

Tao Yu, Chi-Tay Tsai, Maohua Lin, 2018, Journal of molecular graphics & modelling.

Structural characteristics of liquid nitromethane at the nanoscale confinement in carbon nanotubes

Tao Yu, Ying Kang, Yingzhe Liu, 2014, Journal of Molecular Modeling.

4-Oxo- or 1-oxo-N7O+? A computational and experimental study

R. Haiges, Tao Yu, K. Christe, 2014 .

13C ENDOR Spectroscopy of Lipoxygenase–Substrate Complexes Reveals the Structural Basis for C–H Activation by Tunneling

J. Klinman, B. Hoffman, Tao Yu, 2017, Journal of the American Chemical Society.

The sorption mechanisms of Th(IV) on attapulgite

Tao Yu, Wang-suo Wu, Q. Fan, 2011 .

cAMP-dependent protein kinase A selects the excited state of the membrane substrate phospholamban.

L. Masterson, G. Veglia, Martin Gustavsson, 2011, Journal of molecular biology.

The outlook for platonic and cubic gauche nitrogens

Tao Yu, Yingzhe Liu, Bo Wu, 2016 .

A theoretical prediction on CN6O: structure, stability and performance

Tao Yu, Bo Wu, 2015 .

Controlled nanozeolite-assembled electrode: remarkable enzyme-immobilization ability and high sensitivity as biosensor.

Tao Yu, Yi Tang, Yahong Zhang, 2006, Chemistry.

Effects of Bentonite Activation Methods on Chitosan Loading Capacity

Daidi Fan, Tao Yu, C. Qu, 2018 .

Biofuel combustion. Energetics and kinetics of hydrogen abstraction from carbon-1 in n-butanol by the hydroperoxyl radical calculated by coupled cluster and density functional theories and multistructural variational transition-state theory with multidimensional tunneling.

D. Truhlar, Jingjing Zheng, Tao Yu, 2012, The journal of physical chemistry. A.

Polyimide binder by combining with polyimide separator for enhancing the electrochemical performance of lithium ion batteries

Tao Yu, S. Guan, Hao Chen, 2016 .

Computational study of esterification between succinic acid and ethylene glycol in the absence of foreign catalyst and solvent

Tao Yu, W. Lai, Haibo Chang, 2011 .

Structural, Electronic, and Nonlinear Optical Properties of C66H4 and C70Cl6 Encapsulating Li and F Atoms

Tao Yu, Cuilian Wen, Bo Wu, 2021, ACS omega.

Theoretical study on the structure and stability of [1,2,5] oxadiazolo [3,4-e] [1,2,3,4]-tetrazine-4,6-Di-N-dioxide (FTDO)

Weiliang Zhu, Tao Yu, P. Lian, 2014, Journal of Molecular Modeling.

Synthesis of star polymethyl acrylate by SET-LRP at ambient temperature

Tao Yu, W. Ding, Huo-xin Luan, 2011 .

Effect of sulfolane on the morphology and chemical composition of the solid electrolyte interphase layer in lithium bis(oxalato)borate‐based electrolyte

Tao Yu, Shiyou Li, Faqiang Li, 2014 .

First principles investigations and Hirshfeld surface analysis of high-energetic and low-sensitive 2,6-diamino-3,5-dinitropyrazine-1-oxide (LLM-105) crystal

Tao Yu, Zhao-yong Yang, Yingzhe Liu, 2021, Journal of Physics and Chemistry of Solids.

Carbon Dioxide and Molecular Nitrogen as Switches between Ionic and Uncharged Room-Temperature Liquids Comprised of Amidines and Chiral Amino Alcohols

R. Weiss, Tao Yu, Taisuke Yamada, 2008 .

Noncovalent functionalization of graphene through physisorption of 1,1-diamino-2,2-dinitroethene: Impacts of and cooperativity between hydrogen bond and π···π interaction

Tao Yu, P. Zhou, Yong-Hui Zhang, 2021, Journal of Physics and Chemistry of Solids.

Expression and purification of isotopically labeled peptide inhibitors and substrates of cAMP-dependant protein kinase A for NMR analysis.

L. Masterson, G. Veglia, Tao Yu, 2009, Protein expression and purification.

Molecular dynamics simulations and electronic excited state properties of a self-assembled peptide amphiphile nanofiber with metalloporphyrin arrays.

G. Schatz, Tao Yu, One-Sun Lee, 2014, The journal of physical chemistry. A.

Synthesis and Properties of Energetic Hydrazinium 5-Nitro-3-dinitromethyl-2H-pyrazole by Unexpected Isomerization of N-Nitropyrazole

Yiying Zhang, Tao Yu, Sanping Chen, 2019, ACS omega.

Face-Dependent Solvent Adsorption: A Comparative Study on the Interfaces of HMX Crystal with Three Solvents.

Tao Yu, Ying Kang, Yingzhe Liu, 2017, The journal of physical chemistry. B.

Adsorption behavior of acetone solvent at the HMX crystal faces: A molecular dynamics study.

Tao Yu, Ying Kang, Yingzhe Liu, 2017, Journal of molecular graphics & modelling.

Computational Insights into Five- versus Six-Coordinate Iron Center in Ferrous Soybean Lipoxygenase

Tao Yu, A. Soudackov, S. Hammes‐Schiffer, 2016, The journal of physical chemistry letters.

Synthesis, Electrochemistry, and Photophysical Studies of Ruthenium(II) Polypyridine Complexes with D-π-A-π-D Type Ligands and Their Application Studies as Organic Memories.

Tao Yu, V. Yam, Ming‐Yi Leung, 2016, Chemistry.

Reversibly Cross-Linking Amino-Polysiloxanes by Simple Triatomic Molecules. Facile Methods for Tuning Thermal, Rheological, and Adhesive Properties†

R. Weiss, D. Blair, Tao Yu, 2009 .

Statistical Theory of Initiation of Explosives by Impact

Tao Yu, Yingzhe Liu, Gan Ren, 2016, 1601.03358.

Understanding the growth morphology of explosive crystals in solution: insights from solvent behavior at the crystal surface

Tao Yu, Ying Kang, Yingzhe Liu, 2017 .

Synthetic Reaction Mechanism of Octogen by Chemometrics and Infrared Spectroscopy

Gaohong Zhai, Tao Yu, Hua Li, 2012 .

Free energy profile and mechanism of self-assembly of peptide amphiphiles based on a collective assembly coordinate.

G. Schatz, Tao Yu, 2013, The journal of physical chemistry. B.

Dynamics connect substrate recognition to catalysis in protein kinase A.

Susan S. Taylor, A. Kornev, L. Masterson, 2010, Nature chemical biology.

Concerted hydrogen atom and electron transfer mechanism for catalysis by lysine-specific demethylase.

D. Truhlar, Jiali Gao, Alessandro Cembran, 2013, The journal of physical chemistry. B.

Practical methods for including torsional anharmonicity in thermochemical calculations on complex molecules: the internal-coordinate multi-structural approximation.

D. Truhlar, Jingjing Zheng, Tao Yu, 2011, Physical chemistry chemical physics : PCCP.

Theoretical study of the effect of N-oxides on the performances of energetic compounds

Tao Yu, P. Lian, Yingzhe Liu, 2016, Journal of Molecular Modeling.