Yongle Li

发表

Safe and high-rate supercapacitors based on an “acetonitrile/water in salt” hybrid electrolyte

S. Shi, Xingbin Yan, Qingyun Dou, 2018 .

New photoluminescence hybrid perovskites with ultrahigh photoluminescence quantum yield and ultrahigh thermostability temperature up to 600 K

Yongle Li, Xiaoshan Wu, Yuying Wu, 2020 .

Communication: full dimensional quantum rate coefficients and kinetic isotope effects from ring polymer molecular dynamics for a seven-atom reaction OH + CH4 → CH3 + H2O.

Joshua W. Allen, W. Green, Hua Guo, 2013, The Journal of chemical physics.

Rate coefficients and kinetic isotope effects of the X + CH[subscript 4] → CH[subscript 3] + HX (X = H, D, Mu) reactions from ring polymer molecular dynamics

W. Green, Hua Guo, Jun Li, 2013 .

Ring polymer molecular dynamics calculations of thermal rate constants for the O ( 3 P ) + CH 4 → OH + CH 3 reaction : Contributions of quantum effects

W. Green, Hua Guo, Minghui Yang, 2014 .

Ring-Polymer Molecular Dynamics Rate Coefficient Calculations for Insertion Reactions: X + H2 → HX + H (X = N, O).

Hua Guo, Y. V. Suleimanov, Yongle Li, 2014, The journal of physical chemistry letters.

Rate Coefficient for the (4)Heμ + CH4 Reaction at 500 K: Comparison between Theory and Experiment.

Hua Guo, Jun Li, Yury V Suleimanov, 2016, The journal of physical chemistry. B.

Rate Coefficients of the HCl + OH → Cl + H2O Reaction from Ring Polymer Molecular Dynamics.

Hua Guo, Daiqian Xie, Hua Guo, 2016, The journal of physical chemistry. A.

Ultrafast Excited-State Dynamics of Cytosine Aza-Derivative and Analogues.

Jianhua Xu, B. Jiang, Xueyao Zhou, 2017, The journal of physical chemistry. A.

Photocatalytic Chemical CO2 Fixation by Cu-BDC Nanosheet@Macroporous–Mesoporous-TiO2 under Mild Conditions

Yang Yang, Yongle Li, Dong Meng, 2019, ACS Catalysis.

The effect of 2,3,5,6-tetrafluoro-7,7,8,8-tetracyanoquinodimethane charge transfer dopants on the conformation and aggregation of poly(3-hexylthiophene)

J. Roehling, Yongle Li, A. Moulé, 2013 .

Dipole Order in Halide Perovskites: Polarization and Rashba Band Splittings

J. Reimers, C. Franchini, Shunbo Hu, 2017 .

Polarization effect within a protein crystal: A molecular dynamics simulation study

J. Reimers, Jianing Song, Yongle Li, 2018, Chemical Physics Letters.

New Stable and Fast Ring-Polymer Molecular Dynamics for Calculating Bimolecular Rate Coefficients with an Example of OH + CH4.

Yongle Li, Wenbin Fan, Jiace Sun, 2022, Journal of chemical theory and computation.

Ring Polymer Molecular Dynamics in Gas-Surface Reactions: Inclusion of Quantum Effects Made Simple.

B. Jiang, Yongle Li, Qinghua Liu, 2019, The journal of physical chemistry letters.

Ring Polymer Molecular Dynamics Calculations of Thermal Rate Constants for the O([superscript 3]P) + CH[subscript 4] OH + CH[subscript 3] Reaction: Citation

W. Green, Minghui Yang, Yongle Li, 2014 .

Ring Polymer Molecular Dynamics Calculations of Thermal Rate Constants for the O([superscript 3]P) + CH[subscript 4] → OH + CH[subscript 3] Reaction: Contributions of Quantum Effects

W. Green, Minghui Yang, Y. V. Suleimanov, 2012 .

Luminescence quenching by photoinduced charge transfer between metal complexes in peptide nucleic acids.

D. Waldeck, Yongle Li, Zhijie Ma, 2014, The journal of physical chemistry. B.

Ring-polymer molecular dynamical benchmarks for X + H2 insertion reactions

Jianing Song, Yongle Li, Hui Yang, 2019, Chemical Physics Letters.

Temperature dependences for the reactions of O2(-) and O(-) with N and O atoms in a selected-ion flow tube instrument.

Hua Guo, B. Jiang, Yongle Li, 2013, The Journal of chemical physics.

Rate Coefficients and Kinetic Isotope Effects of the XCl + Cl (X=H, D, Mu) Reactions from Ring Polymer Molecular Dynamics

Jianing Song, Yongle Li, Wenbin Fan, 2020, Chinese Journal of Chemical Physics.

Bioferroelectric Properties of Glycine Crystals.

J. Reimers, A. Rappe, Shunbo Hu, 2019, The journal of physical chemistry letters.

Experimental and theoretical studies of the reactions of ground-state sulfur atoms with hydrogen and deuterium.

Hua Guo, Linsen Zhou, Yongle Li, 2017, The Journal of chemical physics.

Communication: the origin of rotational enhancement effect for the reaction of H2O(+) + H2 (D2).

Hua Guo, Bo Xiong, Kai-Chung Lau, 2014, The Journal of chemical physics.

Mesoporous silica stabilized MOF nanoreactor for highly selective semi-hydrogenation of phenylacetylene via synergistic effect of Pd and Ru single site

Yongle Li, Weiwei Wang, Ping Wang, 2021, Nano Research.

Affordable Ab Initio Path Integral for Thermodynamic Properties via Molecular Dynamics Simulations Using Semiempirical Reference Potential.

Y. Shao, Yongle Li, Y. Mei, 2021, The journal of physical chemistry. A.

Atomistic simulations of an antimicrobial molecule interacting with a model bacterial membrane

Hua Guo, Yongle Li, 2012, Theoretical Chemistry Accounts.

Highly Monodisperse Cu-Sn Alloy Nanoplates for Efficient Nitrophenol Reduction Reaction via Promotion Effect of Tin.

Yongle Li, M. He, Y. Wen, 2020, Inorganic chemistry.

Monolithic electrode integrated of ultrathin NiFeP on 3D strutted graphene for bifunctionally efficient overall water splitting

Y. Bando, P. Hu, Yongle Li, 2019, Nano Energy.

Molecular dynamics simulations of ferroelectricity in di-isopropyl-ammonium halide molecular crystals

Jianing Song, A. Stroppa, P. Hu, 2019, Chemical Physics Letters.

Ring-polymer molecular dynamical calculations for the F + HCl → HF + Cl reaction on the ground 12A' potential energy surface.

Jun Yu Li, D. Lu, Yongle Li, 2016, Physical chemistry chemical physics : PCCP.

Ring polymer molecular dynamics in gas-surface reactions: tests on initial sampling and potential energy landscape

Yongle Li, Qinghua Liu, Liang Zhang, 2021, Molecular Physics.

Mechanisms of Molecular Ferroelectrics Made Simple

W. Ren, Yongle Li, Xiaoqin Zhu, 2021, 2104.02917.

Quantum rate coefficients and kinetic isotope effect for the reaction Cl + CH4 → HCl + CH3 from ring polymer molecular dynamics.

W. Green, Hua Guo, Y. V. Suleimanov, 2014, The journal of physical chemistry. A.

CoO-modified Co4N as a heterostructured electrocatalyst for highly efficient overall water splitting in neutral media

Xuebin Wang, Y. Bando, Qiang Wu, 2018 .

Molecular dynamics simulation of the transformation of Fe-Co alloy by machine learning force field based on atomic cluster expansion

Yongle Li, Lu Sun, L. Hou, 2023, Chemical Physics Letters.

Rate coefficients of roaming reaction H+MgH using ring polymer molecular dynamics

Jianing Song, Yongle Li, Wenbin Fan, 2020, Chinese Journal of Chemical Physics.

Designing a sustainable fluorescent targeting probe for superselective nucleus imaging

P. Ajayan, R. Vajtai, T. Xu, 2021 .

Communication: covalent nature of X⋯H2O (X = F, Cl, and Br) interactions.

Hua Guo, Jun Li, Yongle Li, 2013, The Journal of chemical physics.

Reaction dynamics for the Cl(2P) + XCl → XCl + Cl(2P) (X = H, D, Mu) reaction on a high-fidelity ground state potential energy surface.

Yongle Li, Qiang-Gen Li, Hongwei Song, 2023, The Journal of chemical physics.

First-principles surface reaction rates by ring polymer molecular dynamics and neural network potential: role of anharmonicity and lattice motion

B. Jiang, Yongle Li, Chen Li, 2023, Chemical science.

Nucleation mechanism of iron in an external magnetic field

Yongle Li, Wen-bin Fan, Xi Li, 2021, Chinese Journal of Chemical Physics.

Ring Polymer Molecular Dynamics Calculations of Thermal Rate Constants for the O((3)P) + CH4 → OH + CH3 Reaction: Contributions of Quantum Effects.

W. Green, Minghui Yang, Y. V. Suleimanov, 2013, The journal of physical chemistry letters.

The effect of 2,3,5,6-tetrafluoro-7,7,8,8-tetracyanoquinodimethane charge transfer dopants on the conformation and aggregation of poly(3-hexylthiophene)

J. Roehling, Yongle Li, A. Moulé, 2013 .