首页
(current)
大学
论文
新闻
招聘
FAQ
简体中文
中
En
登录
注册
#Jun Li
A binding-block ion selective mechanism revealed by a Na/K selective channel
Theoretical & Computational Chemistry Laboratory , 清华大学
Identification of activity trends for CO oxidation on supported transition-metal single-atom catalysts
Theoretical & Computational Chemistry Laboratory , 清华大学
From planar boron clusters to borophenes and metalloborophenes
Theoretical & Computational Chemistry Laboratory , 清华大学
Structural transition in metal-centered boron clusters: from tubular molecular rotors Ta@B21 and Ta@B22+ to cage-like endohedral metalloborospherene Ta@B22−
Theoretical & Computational Chemistry Laboratory , 清华大学
Preface to the Special Issue of the International Symposium on Single-Atom Catalysis (ISSAC-2016)
Theoretical & Computational Chemistry Laboratory , 清华大学
Crown ether complexes of actinyls: a computational assessment of AnO2(15-crown-5)2+ (An = U, Np, Pu, Am, Cm)
Theoretical & Computational Chemistry Laboratory , 清华大学
Catalytic ativities of single-atom catalysts for CO oxidation: Pt 1 /FeO x vs . Fe 1 /FeO x
Theoretical & Computational Chemistry Laboratory , 清华大学
Diversity of Chemical Bonding and Oxidation States in MS4 Molecules of Group 8 Elements
Theoretical & Computational Chemistry Laboratory , 清华大学
Isolated Single-Atom Pd Sites in Intermetallic Nanostructures: High Catalytic Selectivity for Semihydrogenation of Alkynes
Theoretical & Computational Chemistry Laboratory , 清华大学
Theoretical Investigations of Pt1@CeO2 Single-Atom Catalyst for CO Oxidation
Theoretical & Computational Chemistry Laboratory , 清华大学
Preparation and Characterization of Uranium-Iron Triple-Bonded UFe(CO)3−and OUFe(CO)3−Complexes
Theoretical & Computational Chemistry Laboratory , 清华大学
Experimental Study on Sentiment Classification of Chinese Review using Machine Learning Techniques
自然语言处理与社会人文计算实验室 , 清华大学
MDTC: An efficient approach to TCAM-based multidimensional table compression
Routing Group(徐明伟课题组) , 清华大学
ChemInform Abstract: [CH3NH3]2Ag4SnIV2SnIIS8: An Open-Framework Mixed-Valent Chalcogenidostannate.
黄小荥课题组 , 中国科学院海西研究院
Syntheses, Crystal Structures, and Optical and Photocatalytic Properties of Four Small-Amine-Molecule-Directed M–Sn–Q (M = Zn, Ag; Q = S, Se) Compounds
黄小荥课题组 , 中国科学院海西研究院
Demonstration of X-ray Thomson Scattering on Shenguang-II Laser Facility
郑坚课题组 , 中国科学技术大学
Study of flux limiter using Fokker–Planck and fluid simulations of planar laser-driven ablation
郑坚课题组 , 中国科学技术大学
Real-time Diagnosis System Development of Common Rail Diesel Based on Expert System
绿色氢能技术 , 清华大学
Physical Insights on Quantum Confinement and Carrier Mobility in Si, Si₀ٜ₄₅Ge₀ٜ₅₅, Ge Gate-All-Around NSFET for 5nm Technology Node
微电子所鸿之微集成电路联合计算实验室 , 中国科学院微电子研究所
Tuning of few-electron states and optical absorption anisotropy in GaAs quantum rings
微电子所鸿之微集成电路联合计算实验室 , 中国科学院微电子研究所
[CH3NH3]2Ag4SnIV2SnIIS8: An Open-Framework Mixed-Valent Chalcogenidostannate
黄小荥课题组 , 中国科学院海西研究院
Understanding Morphology Compatibility for High-Performance Ternary Organic Solar Cells
太阳能&表面物理实验室 , 武汉大学
Mode Specificity in the OH + HO2 → H2O + O2 Reaction: Enhancement of Reactivity by Exciting a Spectator Mode
Molecular Reaction Dynamics by Theory , 重庆大学
Reaction pathways and kinetics study on a syngas combustion system: CO + HO2 in an H2O environment
Molecular Reaction Dynamics by Theory , 重庆大学
Exceptional levofloxacin removal using biochar-derived porous carbon sheets: Mechanisms and density-functional-theory calculation
Molecular Reaction Dynamics by Theory , 重庆大学
Capture of the Sulfur Monoxide–Hydroxyl Radical Complex
Molecular Reaction Dynamics by Theory , 重庆大学
An accurate potential energy surface and ring polymer molecular dynamics study of the Cl + CH4 → HCl + CH3 reaction
Molecular Reaction Dynamics by Theory , 重庆大学
Ro-vibrational spectra of the simplest deuterated criegee intermediate CD2OO
Molecular Reaction Dynamics by Theory , 重庆大学
An accurate full-dimensional permutationally invariant potential energy surface for the interaction between H2O and CO
Molecular Reaction Dynamics by Theory , 重庆大学
Theoretical Study for the Ground Electronic State of the Reaction OH + SO → H + SO2
Molecular Reaction Dynamics by Theory , 重庆大学
Stereodynamical control of product branching in multi-channel barrierless hydrogen abstraction of CH3OH by F
Molecular Reaction Dynamics by Theory , 重庆大学
Rate coefficients and branching ratio for multi-channel hydrogen abstractions from CH3OH by F
Molecular Reaction Dynamics by Theory , 重庆大学
Photoelectron–Photofragment Coincidence Studies on the Dissociation Dynamics of the OH–CH4 Complex
Molecular Reaction Dynamics by Theory , 重庆大学
Anomalous kinetics of the reaction between OH and HO2 on an accurate triplet state potential energy surface
Molecular Reaction Dynamics by Theory , 重庆大学
Quantum dynamical investigation of product state distributions of the F + CH3OH → HF + CH3O reaction via photodetachment of the F−(HOCH3) anion
Molecular Reaction Dynamics by Theory , 重庆大学
A critical comparison of neural network potentials for molecular reaction dynamics with exact permutation symmetry
Molecular Reaction Dynamics by Theory , 重庆大学
Ring-polymer molecular dynamics studies of thermal rate coefficients for reaction F + H2O → HF + OH
Molecular Reaction Dynamics by Theory , 重庆大学
Quasi-classical dynamics investigations of the F + D 2 O → DF + OD reaction on a full dimensional accurate potential energy surface
Molecular Reaction Dynamics by Theory , 重庆大学
Tracking the energy flow in the hydrogen exchange reaction OH + H2O → H2O + OH
Molecular Reaction Dynamics by Theory , 重庆大学
Thermal Rate Coefficients and Kinetic Isotope Effects for the Reaction OH + CH4 → H2O + CH3 on an ab Initio-Based Potential Energy Surface
Molecular Reaction Dynamics by Theory , 重庆大学
Classical Trajectory Study of Collision Energy Transfer between Ne and C2H2 on a Full Dimensional Accurate Potential Energy Surface
Molecular Reaction Dynamics by Theory , 重庆大学
Feshbach resonances in the exit channel of the F + CH3OH → HF + CH3O reaction observed using transition-state spectroscopy
Molecular Reaction Dynamics by Theory , 重庆大学
Kinetics studies of the F + HCl → HF + Cl reaction on an accurate potential energy surface
Molecular Reaction Dynamics by Theory , 重庆大学
Effects of vibrational excitation on the F + H2O → HF + OH reaction: dissociative photodetachment of overtone-excited [F–H–OH]−
Molecular Reaction Dynamics by Theory , 重庆大学
Kinetics and dynamics of the C(3P) + H2O reaction on a full-dimensional accurate triplet state potential energy surface
Molecular Reaction Dynamics by Theory , 重庆大学
Correction: Kinetics and dynamics of the C(3P) + H2O reaction on a full-dimensional accurate triplet state potential energy surface
Molecular Reaction Dynamics by Theory , 重庆大学
Quasi-classical trajectory studies on the full-dimensional accurate potential energy surface for the OH + H2O = H2O + OH reaction
Molecular Reaction Dynamics by Theory , 重庆大学
Quantum and quasiclassical dynamics of the multi-channel H + H2S reaction
Molecular Reaction Dynamics by Theory , 重庆大学
Rotational excitation of the interstellar NH2 radical by H2
Molecular Reaction Dynamics by Theory , 重庆大学
An accurate multi-channel multi-reference full-dimensional global potential energy surface for the lowest triplet state of H2O2
Molecular Reaction Dynamics by Theory , 重庆大学
Mode specific dynamics in the H2 + SH → H + H2S reaction
Molecular Reaction Dynamics by Theory , 重庆大学
Potential energy surfaces from high fidelity fitting ofab initiopoints: the permutation invariant polynomial - neural network approach
Molecular Reaction Dynamics by Theory , 重庆大学
Ring-polymer molecular dynamical calculations for the F + HCl → HF + Cl reaction on the ground 12A′ potential energy surface
Molecular Reaction Dynamics by Theory , 重庆大学
Full-dimensional global potential energy surfaces describing abstraction and exchange for the H + H2S reaction
Molecular Reaction Dynamics by Theory , 重庆大学
Imaging a multidimensional multichannel potential energy surface: Photodetachment of H−(NH3) and NH4−
Molecular Reaction Dynamics by Theory , 重庆大学
Permutation invariant potential energy surfaces for polyatomic reactions using atomistic neural networks
Molecular Reaction Dynamics by Theory , 重庆大学
Mode specificity in the OH + CHD3 reaction: Reduced-dimensional quantum and quasi-classical studies on an ab initio based full-dimensional potential energy surface
Molecular Reaction Dynamics by Theory , 重庆大学
Communication: An accurate full 15 dimensional permutationally invariant potential energy surface for the OH + CH4 → H2O + CH3 reaction
Molecular Reaction Dynamics by Theory , 重庆大学
Permutationally invariant fitting of intermolecular potential energy surfaces: A case study of the Ne-C2H2 system
Molecular Reaction Dynamics by Theory , 重庆大学
Rate Coefficient for the4Heμ + CH4Reaction at 500 K: Comparison between Theory and Experiment
Molecular Reaction Dynamics by Theory , 重庆大学
Mode specific dynamics of the H2 + CH3 → H + CH4 reaction studied using quasi-classical trajectory and eight-dimensional quantum dynamics methods
Molecular Reaction Dynamics by Theory , 重庆大学
Full-Dimensional Potential Energy Surface and Ro-vibrational Levels of Dioxirane
Molecular Reaction Dynamics by Theory , 重庆大学
Vibrational energy levels of the simplest Criegee intermediate (CH2OO) from full-dimensional Lanczos, MCTDH, and MULTIMODE calculations
Molecular Reaction Dynamics by Theory , 重庆大学
Infrared spectrum of the simplest Criegee intermediate CH2OO at resolution 0.25 cm−1 and new assignments of bands 2ν9 and ν5
Molecular Reaction Dynamics by Theory , 重庆大学
A permutationally invariant full-dimensional ab initio potential energy surface for the abstraction and exchange channels of the H + CH4 system
Molecular Reaction Dynamics by Theory , 重庆大学
From ab Initio Potential Energy Surfaces to State-Resolved Reactivities: X + H2O ↔ HX + OH [X = F, Cl, and O(3P)] Reactions
Molecular Reaction Dynamics by Theory , 重庆大学
Near Spectroscopically Accurate Ab Initio Potential Energy Surface for NH4+and Variational Calculations of Low-Lying Vibrational Levels
Molecular Reaction Dynamics by Theory , 重庆大学
Final state-resolved mode specificity in HX + OH → X + H2O (X = F and Cl) reactions: A quasi-classical trajectory study
Molecular Reaction Dynamics by Theory , 重庆大学
Explicitly correlated MRCI-F12 potential energy surfaces for methane fit with several permutation invariant schemes and full-dimensional vibrational calculations
Molecular Reaction Dynamics by Theory , 重庆大学
State-Resolved Quantum Dynamics of Photodetachment of HCO2−/DCO2− on an Accurate Global Potential Energy Surface
Molecular Reaction Dynamics by Theory , 重庆大学
An experimental and theoretical study on rotational constants of vibrationally excited CH2OO
Molecular Reaction Dynamics by Theory , 重庆大学
Insights into the bond-selective reaction of Cl + HOD(nOH) → HCl + OD
Molecular Reaction Dynamics by Theory , 重庆大学
Mode specificity in the HF + OH → F + H2O reaction
Molecular Reaction Dynamics by Theory , 重庆大学
Hemibond complexes between H2S and free radicals (F, Cl, Br, and OH)
Molecular Reaction Dynamics by Theory , 重庆大学
A comparison study of the H + CH4 and H + SiH4 reactions with eight-dimensional quantum dynamics: normal mode versus local mode in the reactant molecule vibration
Molecular Reaction Dynamics by Theory , 重庆大学
Nine-dimensional quantum dynamics study of the H2+ NH2→ H + NH3reaction: a rigorous test of the sudden vector projection model
Molecular Reaction Dynamics by Theory , 重庆大学
High-Level, First-Principles, Full-Dimensional Quantum Calculation of the Ro-vibrational Spectrum of the Simplest Criegee Intermediate (CH2OO)
Molecular Reaction Dynamics by Theory , 重庆大学
Full-dimensional characterization of photoelectron spectra of HOCO−and DOCO−and tunneling facilitated decay of HOCO prepared by anion photodetachment
Molecular Reaction Dynamics by Theory , 重庆大学
Mode Specificity and Product Energy Disposal in Unimolecular Reactions: Insights from the Sudden Vector Projection Model
Molecular Reaction Dynamics by Theory , 重庆大学
Effects of reactant rotation on the dynamics of the OH + CH4 → H2O + CH3 reaction: A six-dimensional study
Molecular Reaction Dynamics by Theory , 重庆大学
A nine-dimensional global potential energy surface for NH4(X2A1) and kinetics studies on the H + NH3 ↔ H2 + NH2 reaction
Molecular Reaction Dynamics by Theory , 重庆大学
Quantum and quasi-classical dynamics of the OH + CO → H + CO2reaction on a new permutationally invariant neural network potential energy surface
Molecular Reaction Dynamics by Theory , 重庆大学
Effects of reactant rotational excitation on reactivity: Perspectives from the sudden limit
Molecular Reaction Dynamics by Theory , 重庆大学
Permutation invariant polynomial neural network approach to fitting potential energy surfaces. II. Four-atom systems
Molecular Reaction Dynamics by Theory , 重庆大学
Accurate Determination of Barrier Height and Kinetics for the F + H2O → HF + OH Reaction
Molecular Reaction Dynamics by Theory , 重庆大学
Quasi‐classical Trajectory Study of F+H2O→HF+OH Reaction: Influence of Barrier Height, Reactant Rotational Excitation, and Isotopic Substitution
Molecular Reaction Dynamics by Theory , 重庆大学
Quasi‐classical Trajectory Study of F+H2O→HF+OH Reaction: Influence of Barrier Height, Reactant Rotational Excitation, and Isotopic Substitution
Molecular Reaction Dynamics by Theory , 重庆大学
Kinetic and dynamic studies of the Cl(2Pu) + H2O(X̃1A1) → HCl(X̃1Σ+) + OH(X̃2Π) reaction on an ab initio based full-dimensional global potential energy surface of the ground electronic state of ClH2O
Molecular Reaction Dynamics by Theory , 重庆大学
Quantum Manifestation of Roaming in H + MgH → Mg + H2: The Birth of Roaming Resonances
Molecular Reaction Dynamics by Theory , 重庆大学
Mode selectivity in methane dissociative chemisorption on Ni(111)
Molecular Reaction Dynamics by Theory , 重庆大学
A new ab initio based global HOOH(13A″) potential energy surface for the O(3P) + H2O(X1A1) ↔ OH(X2Π) + OH(X2Π) reaction
Molecular Reaction Dynamics by Theory , 重庆大学
Communication: Covalent nature of X⋯H2O (X = F, Cl, and Br) interactions
Molecular Reaction Dynamics by Theory , 重庆大学
Iron cation catalyzed reduction of N2O by CO: gas-phase temperature dependent kinetics
Molecular Reaction Dynamics by Theory , 重庆大学
Spin-orbit corrected full-dimensional potential energy surfaces for the two lowest-lying electronic states of FH2O and dynamics for the F + H2O → HF + OH reaction
Molecular Reaction Dynamics by Theory , 重庆大学
Rate coefficients and kinetic isotope effects of the X + CH4 → CH3 + HX (X = H, D, Mu) reactions from ring polymer molecular dynamics
Molecular Reaction Dynamics by Theory , 重庆大学
Effects of reactant internal excitation and orientation on dissociative chemisorption of H2O on Cu(111): Quasi-seven-dimensional quantum dynamics on a refined potential energy surface
Molecular Reaction Dynamics by Theory , 重庆大学
Reactant Vibrational Excitations Are More Effective than Translational Energy in Promoting an Early-Barrier Reaction F + H2O → HF + OH
Molecular Reaction Dynamics by Theory , 重庆大学
CO2Vibrational State Distributions From Quasi-Classical Trajectory Studies of the HO + CO → H + CO2Reaction and H + CO2Inelastic Collision
Molecular Reaction Dynamics by Theory , 重庆大学
Enhancement of bimolecular reactivity by a pre-reaction van der Waals complex: the case of F + H2O → HF + HO
Molecular Reaction Dynamics by Theory , 重庆大学
Mode Selectivity for a “Central” Barrier Reaction: Eight-Dimensional Quantum Studies of the O(3P) + CH4 → OH + CH3 Reaction on an Ab Initio Potential Energy Surface
Molecular Reaction Dynamics by Theory , 重庆大学
«
1
2
»