Changjian Xie

发表

Permutation invariant polynomial neural network approach to fitting potential energy surfaces. IV. Coupled diabatic potential energy matrices.

Hua Guo, Xiaolei Zhu, Changjian Xie, 2018, The Journal of chemical physics.

State-to-state quantum dynamics of the N(4S) + OH(X2Π) → H(2S) + NO(X 2Π) reaction.

Hua Guo, Changjian Xie, D. Xie, 2011, The Journal of chemical physics.

Mechanistic details of the MnO+ + H2/D2 reaction through temperature-dependent kinetics and statistical modeling

Hua Guo, Changjian Xie, Hanqing Pan, 2019, International Journal of Mass Spectrometry.

Plant species-dependent transformation and translocation of ceria nanoparticles

I. Lynch, Changjian Xie, Lirong Zheng, 2019, Environmental Science: Nano.

Ab initio determination of potential energy surfaces for the first two UV absorption bands of SO2.

Hua Guo, Linsen Zhou, Changjian Xie, 2013, The Journal of chemical physics.

The near-UV absorber OSSO and its isomers.

P. Schreiner, Hua Guo, Changjian Xie, 2018, Chemical communications.

Quasi-classical trajectory study of the HO + CO → H + CO2 reaction on a new ab initio based potential energy surface.

Hua Guo, J. Bowman, R. Dawes, 2012, The journal of physical chemistry. A.

Convergence Analysis of A Second-order Semi-implicit Projection Method for Landau-Lifshitz Equation

Changjian Xie, Jingrun Chen, Cheng Wang, 2019, 1902.09740.

Rate coefficients and branching ratio for multi-channel hydrogen abstractions from CH3OH by F

Jun Yu Li, Hua Guo, Changjian Xie, 2019, Chinese Journal of Chemical Physics.

Accurate Determination of Tunneling-Affected Rate Coefficients: Theory Assessing Experiment.

Hua Guo, Changjian Xie, D. Xie, 2017, The journal of physical chemistry letters.

Graphene Oxide Induced pH Alteration, Iron Overload and Subsequent Oxidative Damage in Rice (Oryza. sativa L.): A New Mechanism of Nanomaterial Phytotoxicity.

I. Lynch, Changjian Xie, E. Valsami-Jones, 2020, Environmental science & technology.

Influence of phosphate on phytotoxicity of ceria nanoparticles in an agar medium.

Z. Chai, Changjian Xie, Junzhe Zhang, 2017, Environmental pollution.

An ab initio based full-dimensional potential energy surface for OH + O2⇄ HO3 and low-lying vibrational levels of HO3.

Hua Guo, R. Dawes, Changjian Xie, 2019, Physical chemistry chemical physics : PCCP.

Encoding of vinylidene isomerization in its anion photoelectron spectrum

W. C. Lineberger, D. Yarkony, D. Neumark, 2017, Science.

A Machine-Learning Method for Time-Dependent Wave Equations over Unbounded Domains pdf

Jingrun Chen, Xiantao Li, Changjian Xie, 2021, ArXiv.

Elucidating the origin of the surface functionalization - dependent bacterial toxicity of graphene nanomaterials: Oxidative damage, physical disruption, and cell autolysis.

I. Lynch, Qiuxiang Pang, Changjian Xie, 2020, The Science of the total environment.

Effects of foliar applications of ceria nanoparticles and CeCl3 on common bean (Phaseolus vulgaris).

Changjian Xie, Junzhe Zhang, Yuhui Ma, 2019, Environmental pollution.

Bacillus subtilis causes dissolution of ceria nanoparticles at the nano–bio interface

Z. Chai, Changjian Xie, Lirong Zheng, 2019, Environmental Science: Nano.

State-to-state quantum dynamics of the O(3P) + NH(X3Σ(-)) reaction on the three lowest-lying electronic states of HNO/HON.

Hua Guo, Changjian Xie, D. Xie, 2013, The Journal of chemical physics.

State-to-state quantum dynamics of the N(4S) + CH(X2Π) → CN(X2Σ+,A2Π) + H(2S) reactions.

Hua Guo, Changjian Xie, D. Xie, 2013, The Journal of chemical physics.

Quantum and quasiclassical state-to-state dynamics of the NH + H reaction: competition between abstraction and exchange channels.

Zhigang Sun, Dong H. Zhang, Hua Guo, 2011, The Journal of chemical physics.

Sodium Benzoate Delays the Development of Drosophila melanogaster Larvae and Alters Commensal Microbiota in Adult Flies

Qiuxiang Pang, Changjian Xie, Desheng Zhang, 2022, Frontiers in Microbiology.

Functionalized MoS2 Nanovehicle with Near-Infrared Laser-Mediated Nitric Oxide Release and Photothermal Activities for Advanced Bacteria-Infected Wound Therapy.

Yuliang Zhao, Changjian Xie, Zhanjun Gu, 2018, Small.

Liquid-Phase Exfoliation and Functionalization of MoS2 Nanosheets for Effective Antibacterial Application.

Changjian Xie, Linqiang Mei, Xiao Zhang, 2020, Chembiochem : a European journal of chemical biology.

Effects of Ceria Nanoparticles and CeCl3 on Plant Growth, Biological and Physiological Parameters, and Nutritional Value of Soil Grown Common Bean (Phaseolus vulgaris).

Changjian Xie, Junzhe Zhang, Yuhui Ma, 2020, Small.

Crystal structures, thermal stabilities, and dissolution behaviours of tinidazole and the tinidazole-vanillic acid cocrystal: insights from energy frameworks.

Shaosong Qian, Ao Li, Qiuxiang Pang, 2020, Acta crystallographica. Section C, Structural chemistry.

Autodetachment from Vibrationally Excited Vinylidene Anions.

Mark A. Johnson, D. Neumark, Hua Guo, 2018, The journal of physical chemistry letters.

Dissolution and Retention Process of CeO2 Nanoparticles in Soil with Dynamic Redox Conditions.

Changjian Xie, Junzhe Zhang, Yuhui Ma, 2021, Environmental science & technology.

Globally Accurate Full-Dimensional Potential Energy Surface for H2 + HCl Inelastic Scattering.

Hua Guo, Changjian Xie, N. Balakrishnan, 2019, The journal of physical chemistry. A.

A new potential energy surface and state-to-state quantum dynamics of the Li  +  HF → H  +  LiF reaction

Hua Guo, Changjian Xie, Xinguo Liu, 2018, Chemical Physics.

Two-center three-electron bonding in ClNH3 revealed via helium droplet infrared laser Stark spectroscopy: Entrance channel complex along the Cl + NH3 → ClNH2 + H reaction.

Hua Guo, Changjian Xie, G. Douberly, 2016, The Journal of chemical physics.

Effect of CeO2 nanoparticles on plant growth and soil microcosm in a soil-plant interactive system.

P. Zhang, I. Lynch, Changjian Xie, 2022, Environmental pollution.

Vibronic origin of sulfur mass-independent isotope effect in photoexcitation of SO2 and the implications to the early earth’s atmosphere

Hua Guo, Changjian Xie, D. Xie, 2013, Proceedings of the National Academy of Sciences.

Optical Control of Reactions between Water and Laser-Cooled Be+ Ions.

Hua Guo, Changjian Xie, Anyang Li, 2018, The journal of physical chemistry letters.

Three-Dimensional Diabatic Potential Energy Surfaces for the Photodissociation of Thiophenol.

Changjian Xie, D. Xie, Guang-Shuang-Mu Lin, 2017, The journal of physical chemistry. A.

Quantum state-to-state dynamics for the quenching process of Br(2P1/2) + H2(v(i) = 0, 1, j(i) = 0).

Zhigang Sun, B. Jiang, Changjian Xie, 2012, The Journal of chemical physics.

Influence of Surface Charge on the Phytotoxicity, Transformation, and Translocation of CeO2 Nanoparticles in Cucumber Plants.

Z. Chai, Changjian Xie, Lirong Zheng, 2019, ACS applied materials & interfaces.

Xylem and Phloem Based Transport of CeO2 Nanoparticles in Hydroponic Cucumber Plants.

Z. Chai, Ke Yang, Changjian Xie, 2017, Environmental science & technology.

Isotope-selective chemistry in the Be+(2S1/2) + HOD → BeOD+/BeOH+ + H/D reaction.

Hua Guo, Changjian Xie, Anyang Li, 2019, Physical chemistry chemical physics : PCCP.

New ab initio coupled potential energy surfaces for the Br(2P(3∕2), 2P(1∕2)) + H2 reaction.

B. Jiang, Changjian Xie, D. Xie, 2011, The Journal of chemical physics.

State-to-state quantum dynamics of the H + HBr reaction: competition between the abstraction and exchange reactions.

B. Jiang, Changjian Xie, D. Xie, 2011, The Journal of chemical physics.

Orbiting resonances in formaldehyde reveal coupling of roaming, radical, and molecular channels

Hua Guo, Changjian Xie, A. Suits, 2021, Science.

State-to-state quantum dynamics of the H((2)S) + O2(ã(1)Δ(g)) → O((3)P)+OH(X(2)Π) reaction on the first excited state of HO2(Ã(2)A').

Hua Guo, Changjian Xie, D. Xie, 2011, Physical chemistry chemical physics : PCCP.

Deciphering the particle specific effects on metabolism in rat liver and plasma from ZnO nanoparticles versus ionic Zn exposure.

Andrew J Chetwynd, I. Lynch, Changjian Xie, 2019, Environment international.

Determination of protonation state in molecular salt of minoxidil and 2,4-dihydroxybenzoic acid through a combined experimental and theoretical study: influence of proton transfer on biological activities

Qiuxiang Pang, Changjian Xie, Kang Zheng, 2022, Journal of Molecular Structure.

Comparative study of core- and surface-radiolabeling strategies for the assembly of iron oxide nanoparticle-based theranostic nanocomposites.

Z. Chai, Changjian Xie, Yuliang Zhao, 2019, Nanoscale.

Low temperature rate constants for the N(4S) + CH(X2Πr) reaction. Implications for N2 formation cycles in dense interstellar clouds.

V. Wakelam, Hua Guo, Changjian Xie, 2013, Physical chemistry chemical physics : PCCP.

Spectroscopic identification of the •SSNO isomers.

P. Schreiner, Hua Guo, Changjian Xie, 2020, The Journal of chemical physics.

Revisiting stacking interactions in tetrathiafulvalene and selected derivatives using tight-binding quantum chemical calculations and local coupled-cluster method.

J. Qin, Qiuxiang Pang, Changjian Xie, 2021, Acta crystallographica Section B, Structural science, crystal engineering and materials.

State-to-state scattering of highly vibrationally excited NO at broadly tunable energies

G. Groenenboom, Hua Guo, Changjian Xie, 2020, Nature Chemistry.

Communication: On the competition between adiabatic and nonadiabatic dynamics in vibrationally mediated ammonia photodissociation in its A band.

D. Yarkony, Hua Guo, Changjian Xie, 2015, The Journal of chemical physics.

Full-dimensional quantum dynamics of vibrationally mediated photodissociation of NH3 and ND3 on coupled ab initio potential energy surfaces: absorption spectra and NH2(Ã(2)A1)/NH2(X̃(2)B1) branching ratios.

D. Yarkony, Hua Guo, Changjian Xie, 2014, The journal of physical chemistry. A.

Constructive and Destructive Interference in Nonadiabatic Tunneling via Conical Intersections.

D. Yarkony, Hua Guo, Changjian Xie, 2017, Journal of chemical theory and computation.

Nonadiabatic tunneling via conical intersections and the role of the geometric phase

D. Yarkony, Hua Guo, Changjian Xie, 2017 .

Active vs. spectator modes in nonadiabatic photodissociation dynamics of the hydroxymethyl radical via the 22A(3s) Rydberg state.

Hua Guo, Changjian Xie, 2018, The Journal of chemical physics.

Toxicity and transformation of graphene oxide and reduced graphene oxide in bacteria biofilm.

Bin Zhao, Changjian Xie, Yuhui Ma, 2017, The Science of the total environment.

Quasi-classical trajectory study of the H + CO2 → HO + CO reaction on a new ab initio based potential energy surface.

Jun Li, Hua Guo, Daiqian Xie, 2012, The Journal of chemical physics.

A global ab initio potential energy surface for HNO (a3A") and quantum mechanical studies of vibrational states and reaction dynamics.

Hua Guo, Changjian Xie, D. Xie, 2011, The Journal of chemical physics.

Neural Network Based Quasi-diabatic Representation for S0 and S1 States of Formaldehyde.

D. Yarkony, Hua Guo, Changjian Xie, 2020, The journal of physical chemistry. A.

Probing the rate-determining region of the potential energy surface for a prototypical ion–molecule reaction

Hua Guo, Changjian Xie, N. Shuman, 2018, Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences.

Competition between Proton Transfer and Proton Isomerization in the N2 + HOC+ Reaction on an Ab Initio-Based Global Potential Energy Surface.

Hua Guo, Changjian Xie, Q. Yao, 2019, The journal of physical chemistry. A.

Stereodynamic control of overlapping resonances in cold molecular collisions

Hua Guo, Changjian Xie, N. Balakrishnan, 2020, 2005.06129.

A Quasi-Diabatic Representation of the 1,21A States of Methylamine.

D. Yarkony, Hua Guo, Changjian Xie, 2019, The journal of physical chemistry. A.

State-to-state reaction dynamics for the reactions of atom N with radicals

Changjian Xie, D. Xie, Xixi Hu, 2015 .

New ab initio potential energy surface for BrH2 and rate constants for the H + HBr → H2 + Br abstraction reaction.

B. Jiang, Changjian Xie, D. Xie, 2011, The Journal of chemical physics.

Vibrational energy levels of the S 0 and S 1 states of formaldehyde using an accurate ab initio based global diabatic potential energy matrix

D. Yarkony, Hua Guo, Changjian Xie, 2021, Molecular Physics.

State-to-state quantum dynamics of the H + LiF → Li + HF reaction on an accurate ab initio potential energy surface

Hua Guo, Changjian Xie, Xinguo Liu, 2018, Chemical Physics.

Membrane-active La(III) and Ce(III) complexes as potent antibacterial agents: synthesis, characterization, in vitro, in silico, and in vivo studies

Qiuxiang Pang, Changjian Xie, Kang Zheng, 2022, Journal of Molecular Structure.

Effects of ceria nanoparticles and CeCl3 on growth, physiological and biochemical parameters of corn (Zea mays) plants grown in soil.

Changjian Xie, Yuhui Ma, Zhiyong Zhang, 2021, NanoImpact.

Size-dependent toxicity of ThO2 nanoparticles to green algae Chlorella pyrenoidosa.

Y. Liu, Changjian Xie, Xiaodong Liu, 2019, Aquatic toxicology.

Trophic Transfer and Transformation of CeO2 Nanoparticles along a Terrestrial Food Chain: Influence of Exposure Routes.

Z. Chai, Changjian Xie, Lirong Zheng, 2018, Environmental science & technology.

Bond dissociation energy of Au2 +: A guided ion beam and theoretical investigation.

Hua Guo, P. Armentrout, Cameron J. Owen, 2019, The Journal of chemical physics.

Kinetics and dynamics of the C(3P) + H2O reaction on a full-dimensional accurate triplet state potential energy surface.

Hua Guo, Jun Li, Changjian Xie, 2017, Physical chemistry chemical physics : PCCP.

The ortho-to-para ratio of H2Cl+: Quasi-classical trajectory calculations and new simulations in light of new observations

E. Herbst, Hua Guo, S. Muller, 2017, 1708.08980.

Capture of SO3 isomers in the oxidation of sulfur monoxide with molecular oxygen.

P. Schreiner, Hua Guo, Changjian Xie, 2018, Chemical communications.

Accurate description of the nonadiabatic proton-coupled electron-transfer process in a diabatic representation: A model study

Changjian Xie, Hai-jing Song, Chaofan Li, 2022, Physical Review A.

Full-Dimensional Quantum State-to-State Nonadiabatic Dynamics for Photodissociation of Ammonia in its A-Band.

D. Yarkony, Dong H. Zhang, Hua Guo, 2014, The journal of physical chemistry letters.

Signatures of a Conical Intersection in Adiabatic Dissociation on the Ground Electronic State.

D. Yarkony, Hua Guo, Changjian Xie, 2018, Journal of the American Chemical Society.

Diabatic and adiabatic representations: Electronic structure caveats

D. Yarkony, Hua Guo, Changjian Xie, 2019, Computational and Theoretical Chemistry.

Nonadiabatic Dynamics in Photodissociation of Hydroxymethyl in the 32A(3p x) Rydberg State: A Nine-Dimensional Quantum Study.

D. Yarkony, Hua Guo, Changjian Xie, 2019, The journal of physical chemistry. A.

Up to a Sign. The Insidious Effects of Energetically Inaccessible Conical Intersections on Unimolecular Reactions.

D. Yarkony, Hua Guo, Changjian Xie, 2019, Accounts of chemical research.

Nonadiabatic Effect in Photodissociation Dynamics of Thiophenol via the 1ππ* State.

Changjian Xie, D. Xie, Guang-Shuang-Mu Lin, 2018, The journal of physical chemistry. A.

The ortho-to-para ratio of interstellar NH2: quasi-classical trajectory calculations and new simulations

E. Herbst, Hua Guo, Changjian Xie, 2016, 1609.02485.

Final State Resolved Quantum Predissociation Dynamics of SO2(C̃1B2) and Its Isotopomers via a Crossing with a Singlet Repulsive State.

Hua Guo, B. Jiang, B. Poirier, 2017, The journal of physical chemistry. A.

Nonadiabatic Tunneling in Photodissociation of Phenol.

D. Yarkony, Hua Guo, Changjian Xie, 2016, Journal of the American Chemical Society.

Enabling a Unified Description of Both Internal Conversion and Intersystem Crossing in Formaldehyde: A Global Coupled Quasi-Diabatic Hamiltonian for Its S0, S1, and T1 States.

D. Yarkony, Hua Guo, Changjian Xie, 2021, Journal of chemical theory and computation.

Constructing Diabatic Potential Energy Matrices with Neural Networks Based on Adiabatic Energies and Physical Considerations: Toward Quantum Dynamic Accuracy.

Changjian Xie, Chaofan Li, Siting Hou, 2023, Journal of chemical theory and computation.

High-fidelity first principles nonadiabaticity: diabatization, analytic representation of global diabatic potential energy matrices, and quantum dynamics.

D. Yarkony, Hua Guo, Changjian Xie, 2021, Physical chemistry chemical physics : PCCP.

Three-Dimensional Diabatic Potential Energy Surfaces of Thiophenol with Neural Networks

Changjian Xie, Chaofan Li, Siting Hou, 2021, Chinese Journal of Chemical Physics.

A Machine-Learning Method for Time-Dependent Wave Equations over Unbounded Domains pdf

Changjian Xie, Jingrun Chen, Xiantao Li, 2021, ArXiv.

Shape-Dependent Transformation and Translocation of Ceria Nanoparticles in Cucumber Plants

Changjian Xie, Lirong Zheng, Yuhui Ma, 2017 .

Convergence Analysis of A Second-order Accurate, Linear Numerical Scheme for The Landau-Lifshitz Equation with Large Damping Parameters pdf

Yongyong Cai, Jingrun Chen, Cheng Wang, 2021, ArXiv.

A second-order numerical method for Landau-Lifshitz-Gilbert equation with large damping parameters

Cheng Wang, Yongyong Cai, Changjian Xie, 2021, J. Comput. Phys..

Two improved Gauss-Seidel projection methods for Landau-Lifshitz-Gilbert equation pdf

Panchi Li, Xiao-Ping Wang, Changjian Xie, 2019, J. Comput. Phys..

Second-order semi-implicit projection methods for micromagnetics simulations pdf

Cheng Wang, Carlos J. García-Cervera, Zhennan Zhou, 2019, J. Comput. Phys..

Photodissociation of phenol via nonadiabatic tunneling: Comparison of two ab initio based potential energy surfaces

Hua Guo, Changjian Xie, 2017 .

A new mixed-ligand lanthanum(III) complex with salicylic acid and 1,10-phenanthroline: Synthesis, characterization, antibacterial activity, and underlying mechanism

Qiuxiang Pang, Changjian Xie, Kang Zheng, 2021 .

State-to-state quantum dynamics of the N(4S) + C2($$\tilde{X}$$X~1Σ+) → CN($$\tilde{X}$$X~2Σ+) + C(3P) reaction

Changjian Xie, D. Xie, Xixi Hu, 2014 .

Revealing Atom-Radical Reactivity at Low Temperature Through the N + OH Reaction

Hua Guo, Changjian Xie, D. Xie, 2011, Science.

Nonadiabatic photodissociation dynamics of the hydroxymethyl radical via the 22A(3s) Rydberg state: A four-dimensional quantum study.

D. Yarkony, Hua Guo, Changjian Xie, 2017, The Journal of chemical physics.

A Semi-implicit Projection Method for LL Equation

Cheng Wang, Changjian Xie, Jingrun Chen, 2019 .

Dynamic mapping of conical intersection seams: A general method for incorporating the geometric phase in adiabatic dynamics in polyatomic systems.

D. Yarkony, Hua Guo, Changjian Xie, 2017, The Journal of chemical physics.

Xylem and Phloem Based Transport of CeO2 Nanoparticles in Hydroponic Cucumber Plants.

Z. Chai, Ke Yang, Changjian Xie, 2017, Environmental science & technology.

State-to-State Mode Specificity in F + CHD3 → HF/DF + CD3/CHD2 Reaction.

Hua Guo, B. Jiang, Minghui Yang, 2016, The journal of physical chemistry. A.

Encoding of vinylidene isomerization in its anion photoelectron spectrum

W. C. Lineberger, D. Yarkony, D. Neumark, 2017, Science.

Geometric Phase Effect in Attosecond Stimulated X-ray Raman Spectroscopy.

Zhuguo Li, Changjian Xie, Chengyin Wu, 2023, The journal of physical chemistry. A.

Nonadiabatic Tunneling in Photodissociation of Phenol.

D. Yarkony, Hua Guo, Changjian Xie, 2016, Journal of the American Chemical Society.