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Yang, Y.T., Fang, W.H., Benderskii, A., Long, R., Prezhdo, Oleg V., Strain Controls Charge Carrier Lifetimes in Monolayer WSe2: Ab Initio Time Domain Analysis, J. Phys. Chem. Lett. 2019, 10, 24, 7732–7739
Chen, W.K., Fang, W.H. and Cui, G.L., Integrating Machine Learning with the Multilayer Energy-Based Fragment Method for Excited States of Large Systems, J. Phys. Chem. Lett. 2019, 10, 24, 7836–7841
Liu Lin, Zemin Sun, Huiying Yao, Mengwei Yuan, Han Yang, Huifeng Li, Qinghua Zhang, Dawei Wang, Lin Gu, Genban Sun, Jia Zhu, Weihai Fang, and Zhiyong Tang, Tuning Surface Lattice Strain toward a Pt-Skin CoPtx Truncated Octahedron for Hydrogen Evolution Reaction, J. Phys. Chem. C 2019, 123, 49, 29722–29728
He, J.L., Fang, W.H. and Long, R., Unravelling the effects of oxidation state of interstitial iodine and oxygen passivation on charge trapping and recombination in CH3NH3PbI3 perovskite: a time-domain ab initio study, Chem. Sci., 2019,10, 10079-10088
Yang, J.J., Liu, X.Y., Fang, W.H., Xiao, D.Q. and Cui, G.L., Photoinduced Carrier Dynamics at the Interface of Black Phosphorus and Bismuth Vanadate, J. Phys. Chem. A 2019, 123, 46, 10019–10029
Qiao, L., Fang, W.H. and Long, R., Ferroelectric Polarization Suppresses Nonradiative Electron-Hole Recombination in CH3NH3PbI3 Perovskites: A Time-Domain ab Initio Study, J. Phys. Chem. Lett. 2019, 10, 22, 7237–7244
Chen, W.K., Fang, W.H. and Cui, G.L., A multi-layer energy-based fragment method for excited states and nonadiabatic dynamics, Phys. Chem. Chem. Phys., 2019,21, 22695-22699
Zhang, S., Fu, L., Wan, M.W., Song, J.J., Gao, L.H. and Fang, W.H., Peripheral Antimicrobial Peptide Gomesin Induces Membrane Protrusion, Folding, and Laceration, Langmuir, 2019, 35, 40, 13233–13242
Zhang, Z.S., Fang, W.H., Long, R. and Prezhdo, Oleg V., Exciton Dissociation and Suppressed Charge Recombination at 2D Perovskite Edges: Key Roles of Unsaturated Halide Bonds and Thermal Disorder, J. Am. Chem. Soc. 2019, 141, 39, 15557–15566
Xie, X.Y., Xiao, P., Fang, W.H., Cui, G.L. and Thiel W, Probing Photocatalytic Nitrogen Reduction to Ammonia with Water on the Rutile TiO2 (110) Surface by First-Principles Calculations, ACS Catal. 2019, 9, 10, 9178–9187
Qiao, L., Long, R. and Fang, W.H., Surface Pb-Dimer Passivated by Molecule Oxygen Notably Suppresses Charge Recombination in CsPbBr3 Perovskites: Time-Domain Ab Initio Analysis, J. Phys. Chem. Lett. 2019, 10, 18, 5499–5506
Xie, X.Y., Liu, X.Y., Fang, Q., Fang, W.H., and Cui, G.L., Photoinduced Carrier Dynamics at the Interface of Pentacene and Molybdenum Disulfide, J. Phys. Chem. A. 2019, 123, 36, 7693–7703
Xie, B.B. and Fang, W.H., Combined Quantum Trajectory Mean-Field and Molecular Mechanical (QTMF/MM) Nonadiabatic Dynamics Simulations on the Photoinduced Ring-Opening Reaction of 2(5H)-Thiophenone, ChemPhotoChem 2019, 3, 897 –906
Shen, L., Tang, D.D., Xie, B.B. and Fang, W.H., Quantum Trajectory Mean-Field Method for Nonadiabatic Dynamics in Photochemistry, J. Phys. Chem. A 2019, 123, 34, 7337–7350
Tang, D.D., Fang, W.H., Shen, L. and Cui, G.L., Combining Meyer-Miller Hamiltonian with electronic structure methods for on-the-fly nonadiabatic dynamics simulations: implementation and application, Phys. Chem. Chem. Phys., 2019,21, 17109-17117
Fan, X.Z., Xiao, P., Jiao, Z.Q., Yang, T.T., Dai, X.J., Xu, W.G., Tan, J.D., Cui, G.L., Su, H.M. , Fang, W.H. and Wu, J., Neutral-Eosin-Y-Photocatalyzed Silane Chlorination Using Dichloromethane, Angew.Chem.Int. Ed. 2019, 58,12580 –12584
Zhang, T.S., Li, Z.W., Fang, Q., Barbatti, M, Fang, W.H. and Cui, G.L., Stereoselective Excited-State Isomerization and Decay Paths in cis-Cyclobiazobenzene, J. Phys. Chem. A 2019, 123, 29, 6144–6151
Wang, T., Xia, L., Yang, J.J., Wang, H.B., Fang, W.H., Chen, H.Y., Tang, D.P., Asiri, A.M., Luo, Y.L., Cui, G.L. and Sun, X.P., Electrocatalytic N-2-to-NH3 conversion using oxygen-doped graphene: experimental and theoretical studies, Chem. Commun, 2019, 55, 7502-7505.
Liu, X.Y., Chen, W.K., Fang, W.H. and Cui, G.L., Nonadiabatic Dynamics Simulations Reveal Distinct Effects of the Thickness of PTB7 on Interfacial Electron and Hole Transfer Dynamics in PTB7@MoS2 Heterostructures, J. Phys. Chem. Lett. 2019, 10, 11, 2949–2956
Fang, Y.G., Peng, Q., Fang, Q., Fang, W.H. and Cui, G.L., MS-CASPT2 Studies on the Photophysics of Selenium-Substituted Guanine Nucleobase, ACS Omega 2019, 4, 6, 9769–9777
Xie, X.Y., Santana-Bonilla, A., Fang, W.H., Liu, C.G., Troisi, A. and Ma, H.B., Exciton-Phonon Interaction Model for Singlet Fission in Prototypical Molecular Crystals, J. Chem. Theory Comput. 2019, 15, 6, 3721–3729
Wang, S.Y., Fang, W.H. and Long, R., Hydrogen Passivated Silicon Grain Boundaries Greatly Reduce Charge Recombination for Improved Silicon/Perovskite Tandem Solar Cell Performance: Time Domain Ab Initio Analysis, J. Phys. Chem. Lett. 2019, 10, 10, 2445–2452
Fang, Y.G., Peng, L.Y., Liu, X.Y., Fang, W.H. and Cui, G.L., QM/MM nonadiabatic dynamics simulation on ultrafast excited-state relaxation in osmium(II) compounds in solution, Computational and Theoretical Chemistry, 2019, 1155, 90-100
He, J.L., Fang, W.H., Long, R. and Prezhdo, Oleg V., Superoxide/Peroxide Chemistry Extends Charge Carriers' Lifetime but Undermines Chemical Stability of CH3NH3PbI3 Exposed to Oxygen: Time-Domain ab Initio Analysis, J. Am. Chem. Soc. 2019, 141, 14, 5798–5807
Wang, Y.T., Fang, W.H., Long, R. and Prezhdo, Oleg V., Symmetry Breaking at MAPbI(3) Perovskite Grain Boundaries Suppresses Charge Recombination: Time-Domain ab Initio Analysis, J. Phys. Chem. Lett. 2019, 10, 7, 1617–1623
Ma, L.S., Fang, W.H., Shen, L. and Chen, X.B, Regulatory Mechanism and Kinetic Assessment of Energy Transfer Catalysis Mediated by Visible Light, ACS Catal. 2019, 9, 4, 3672–3684
Wang, S.Y., Luo, Q.Q., Fang, W.H. and Long, R., Interfacial Engineering Determines Band Alignment and Steers Charge Separation and Recombination at an Inorganic Perovskite Quantum Dot/WS2 Junction: A Time Domain Ab Initio Study, J. Phys. Chem. Lett. 2019, 10, 6, 1234–1241
Xia, Li, Yang, Jia-Jia, Wang, Huanbo, Zhao, Runbo, chen, hongyu, Fang, Wei-hai, Asiri, Abdullah M., Xie, Fengyu, Cui, Ganglong, Sun, Xuping, Sulfur-doped graphene for efficient electrocatalytic N2-to-NH3 fixation, Chem. Commun, 2019, 55, 3371-3374
Wang, Y.T., Liu, X.Y. and Fang, W.H., Mechanism of the O2(1Δg) generation from the Cl2/H2O2 basic aqueous solution explored by the combined ab initio calculation and nonadiabatic dynamics simulation, J. Comput. Chem. 2019, 40, 447–455
Zhao, J.X., Zhang, L., Xie, X.Y., Li, X.H., Ma, Y.J., Liu, Q., Fang, W.H. Shi, X.F. Cui, .G.L. and Sun, X.P., Ti3C2Tx (T = F, OH) MXene nanosheets: conductive 2D catalysts for ambient electrohydrogenation of N2 to NH3, J. Mater. Chem. A, 2018, 6, 24031-24035
Liu, X.Y., Xie, X.Y., Fang, W.H. and Cui, G.L., Theoretical Insights into Interfacial Electron Transfer between Zinc Phthalocyanine and Molybdenum Disulfide, J. Phys. Chem. A 2018, 122, 50, 9587–9596.
W.D. Sun, Y. Wang, L.S. Ma, L. Zheng, W.H. Fang, X.B. Chen, H. Jiang, Self-Assembled Carcerand-like Cage with a Thermoregulated Selective Binding Preference for Purification of High-Purity C60 and C70, J. Org. Chem. 2018, 83, 23, 14667–14675
Gao, Y.J., Chen, W.K., Zhang, T.T., Fang, W.H. and Cui, G.L., Theoretical Studies on Excited-State Properties of Au(III) Emitters with Thermally Activated Delayed Fluorescence, J. Phys. Chem. C 2018, 122, 48, 27608–27619
Chen, W.K., Liu, X.Y., Fang, W.H., Dral, Pavlo O. and Cui, G.L., Deep Learning for Nonadiabatic Excited-State Dynamics, J. Phys. Chem. Lett. 2018, 9, 23, 6702–6708
Qiao, L., Fang, W.H. and Long, R., Dopant Control of Electron-Hole Recombination in Cesium-Titanium Halide Double Perovskite by Time Domain Ab lnitio Simulation: Codoping Supersedes Monodoping, J. Phys. Chem. Lett. 2018, 9, 23, 6907–6914
M.D. Li, N.K. Wong, J. Xiao, R.X. Zhu, L.L. Wu, S.Y. Dai, F. Chen, G.H. Huang, L. Xu, X.Y. Bai, M.R. Geraskina, A.H. Winter, X.B. Chen, Y.X. Liu, W.H. Fang, D, Yang, D.L. Phillips, J. Am. Chem. Soc. 2018, 140, 46, 15957–15968
Gao, Y.J., Wang, Z.R., Chen, W.K., Fang, W.H. and Cui, G.L., ONIOM studies on thermally activated delayed fluorescence of copper(I) dimers in crystal, Chem. Phys. 2018, 515, 692-703
Xiao, P., Li, C.X., Fang, W.H., Cui, G.L. and Thiel, W., Mechanism of the Visible-Light-Mediated Copper-Catalyzed Coupling Reaction of Phenols and Alkynes, J. Am. Chem. Soc. 2018, 140, 44, 15099–15113
Shi, Y., Wan, M.W., Fu, L., Zhang, S., Wang, S.Y., Gao, L.H. and Fang, W.H., Peptide-Lipid Interaction Sites Affect Vesicles' Responses to Antimicrobial Peptides, Biophysical Journal,2018, 115, 1518–1529.
Gao, Y.J., Chen, W.K., Wang, Z.R., Fang, W.H. and Cui, G.L., QM and ONIOM studies on thermally activated delayed fluorescence of copper(I) complexes in gas phase, solution, and crystal, Phys. Chem. Chem. Phys. 2018, 20, 24955-24967
Wei, Y.Q., Zhou, Z.H., Fang, W.H. and Long, R., Grain Boundary Facilitates Photocatalytic Reaction in Rutile TiO2 Despite Fast Charge Recombination: A Time-Domain ab Initio Analysis, J. Phys. Chem. Lett. 2018, 9, 19, 5884–5889
He, J.L., Fang, W.H. and Long, R., Unravelling the Effects of A-Site Cations on Nonradiative Electron-Hole Recombination in Lead Bromide Perovskites: Time-Domain ab Initio Analysis, J. Phys. Chem. Lett. 2018, 9, 17, 4834–4840
Wu, L.L., Cao, X.Y., Chen, X.B., Fang, W.H. and Dolg, M., Visible-Light Photocatalysis of C(sp(3))-H Fluorination by the Uranyl Ion: Mechanistic Insights, Angew.Chem.Int. Ed. 2018, 57,11812 –11816
He, J.L., Fang, W.H., Long, R. and Prezhdo, Oleg V., Increased Lattice Stiffness Suppresses Nonradiative Charge Recombination in MAPbl(3) Doped with Larger Cations: Time Domain Ab Initio Analysis, ACS Energy Lett. 2018, 3, 9, 2070–2076
Zhang, J., Wang, L., Zhang, J., Zhu, J.R., Pan, X., Cui, Z.F., Wang, J.Y., Fang, W.H. and Li, Y.L., Identifying and Modulating Accidental Fermi Resonance: 2D IR and DFT Study of 4-Azido-L-Phenylalanine, J. Phys. Chem. B 2018, 122, 34, 8122–8133
Qiu Weibin, Xie Xiao-Ying, Qiu Jianding, Fang Wei-Hai, Liang Ruping, Ren Xiang, Ji Xuqiang, Cui Guanwei, Asiri Abdullah M., Cui Ganglong, Tang Bo and Sun Xuping, Nat. Commun. 2018, 9, 3485
Jin, L., Wang, J.J., Ye, W., Fang, W.H. and Chen, X.B., Electron Transfer Controls the Photochemical Splitting of Water Mediated by a Titanocene Transition Metal Complex, J. Phys. Chem. C 2018, 122, 32, 18412–18421
Xie, B.B., Cui, C.X., Fang, W.H. and Cui, G.L., Photoinduced Curtius rearrangements of fluorocarbonyl azide, FC(O)N-3: a QM/MM nonadiabatic dynamics simulation, Phys. Chem. Chem. Phys. 2018, 20, 19363-19372
Yang, W.J., Chen, X.B. and Fang, W.H., Nonadiabatic Curve-Crossing Model for the Visible-Light Photoredox Catalytic Generation of Radical Intermediate via a Concerted Mechanism, ACS Catal. 2018, 8, 8, 7388–7396
Liu, X.Y., Li, Z.W., Fang, W.H. and Cui, G.L., Nonadiabatic dynamics simulations on internal conversion and intersystem crossing processes in gold(i) compounds, J. Chem. Phys. 2018, 149, 044301
Xie, X.Y., Xiao, P., Cao, X.Y., Fang, W.H., Cui, G.L. and Dolg, M., The Origin of the Photoluminescence Enhancement of Gold-Doped Silver Nanoclusters: The Importance of Relativistic Effects and Heteronuclear Gold-Silver Bonds, Angew.Chem. Int.Ed. 2018, 57,9965 –9969
Liu, H.W., Ma, L.S., Zhou, R., Chen, X.B., Fang, W.H. and Wu, J., One-Pot Photomediated Giese Reaction/Friedel-Crafts Hydroxyalkylation/Oxidative Aromatization To Access Naphthalene Derivatives from Toluenes and Enones, ACS Catal. 2018, 8, 7, 6224–6229
Liu, X.Y., Zhang, Y.H, Fang, W.H. and Cui, G.L., Early-Time Excited-State Relaxation Dynamics of Iridium Compounds: Distinct Roles of Electron and Hole Transfer, J. Phys. Chem. A 2018, 122, 25, 5518–5532
Xiao, P., Yang, J.J., Fang, W.H. and Cui, G.L., QM/MM studies on ozonolysis of alpha-humulene and Criegee reactions with acids and water at air-water/acetonitrile interfaces, Phys. Chem. Chem. Phys. 2018, 20, 16138-16150.
Wan, M.W., Gao, L.H. and Fang, W.H., Implicit-solvent dissipative particle dynamics force field based on a four-to-one coarse grained mapping scheme, Plos One, 13, e0198049
Yang, Y.M., Yang, W.J., Su, H.M., Fang, W.H. and Chen, X.B., Mechanistic insights into the photogeneration and quenching of guanine radical cation via one-electron oxidation of G-quadruplex DNA, Phys. Chem. Chem. Phys. 2018, 20, 13598-13606.
Zhang, Z.S., Liu, L.H., Fang, W.H., Long, R., Tokina, Marina V. and Prezhdo, Oleg V. Plasmon-Mediated Electron Injection from Au Nanorods into MoS2: Traditional versus Photoexcitation Mechanism, Chem, 4, 1112-1127.
Wei, Y.Q., Fang, W. H., Fang, Q. and Long, R., Nonadiabatic Molecular Dynamics Simulation of Charge Separation and Recombination at a WS2/QD Heterojunction. J. Phys. Chem. C 2018, 122, 13, 7041–7050
Wu, D., Wang, Y.-T., Fang, W.-H., Cui, G. and Thiel, W. Qm/Mm Studies on Photoisomerization Dynamics of Azobenzene Chromophore Tethered to a DNA Duplex: Local Unpaired Nucleobase Plays a Crucial Role. Chem. Asian J. 2018, 13, 780-784.
Zhang, Z.S., Fang, W. H., Tokina, Marina V., Long, R. and Prezhdo, Oleg V., Rapid Decoherence Suppresses Charge Recombination in Multi-Layer 2D Halide Perovskites: Time-Domain Ab Initio Analysis. Nano Lett. 2018, 18, 4, 2459–2466
Li, C.X., Xiao. P, Fang, W.H. and Cui, G.L., Excited-state proton transfer induced [4+2] and [4+4] photocycloaddition reactions of an oxazoline: Mechanism and selectivity, J. Photoch. Photobio. A, 355, 256-266
Liu, L., Fang, W.-H., Long, R. and Prezhdo, O. V. Lewis Base Passivation of Hybrid Halide Perovskites Slows Electron-Hole Recombination: Time-Domain Ab Initio Analysis. The journal of physical chemistry letters. 2018, 9, 1164-1171.
Guo, W.-W., Zhang, T.-S., Fang, W.-H. and Cui, G. Qm/Mm Studies on the Excited-State Relaxation Mechanism of a Semisynthetic Dtpt3 Base. Phys. Chem. Chem. Phys. 2018, 20, 5067-5073.
Liang-hui Gao, Bin-bin Xie and Wei-hai Fang, Theories and Applications of Mixed Quantum-Classical Non-adiabatic Dynamics, Chinese. J. Chem. Phys, 2018, 31, 12-26.
Yang, Y., Fang, W. and Chen, X. Mechanistic Insights into the Formation of Oxenium Ions and Radical Intermediates through the Photolysis of Phenylhydroxylamine and Its Derivatives. Phys. Chem. Chem. Phys. 2018, 20, 2220-2229.
Liu, Xiang-Yang, Xie, Xiao-Ying, Fang, Wei-Hai and Cui, Ganglong. Photoinduced relaxation dynamics of nitrogen-capped silicon nanoclusters: a TD-DFT study. Molecular Physics, 2018, 1-16.
Zhang, T.-S., Xue, J.-D., Zheng, X., Xie, B.-B. and Fang, W.-H. Short-Time Dynamics and Decay Mechanism of 2(1h)-Pyridinone Upon Excitation to the Light-Absorbing S-4(2 Pi Pi*(1)) State. J. Chem. Phys. 2017, 146, 114305.
Zhang, Q., Wu, L., Cao, X., Chen, X., Fang, W. and Dolg, M. Energy Resonance Crossing Controls the Photoluminescence of Europium Antenna Probes. Angew. Chem.-Int. Edit. 2017, 56, 7986-7990.
Yang, Y., Fang, W.-H. and Long, R. Disparity in Photoexcitation Dynamics between Vertical and Lateral Mos2/Wse2 Heterojunctions: Time-Domain Simulation Emphasizes the Importance of Donor Acceptor Interaction and Band Alignment. J. Phys. Chem. Lett. 2017, 8, 5771-5778.
Xie, X.-Y., Wang, Q., Fang, W.-H. and Cui, G. Dft Study on Reaction Mechanism of Nitric Oxide to Ammonia and Water on a Hydroxylated Rutile Tio2(110) Surface. Journal of Physical Chemistry C. 2017, 121, 16373-16380.
Xie, B.-B., Liu, X.-Y., Fang, Q., Fang, W.-H. and Cui, G. The Position of the N Atom Plays a Significant Role for Excited-State Decay of Heterocycles. J. Phys. Chem. Lett. 2017, 8, 1019-1024.
Xie, B., Cui, G. and Fang, W.-H. Multiple-State Nonadiabatic Dynamics Simulation of Photoisomerization of Acetylacetone with the Direct Ab Initio Qtmf Approach. J. Chem. Theory Comput. 2017, 13, 2717-2729.
Xiao, P., Wu, D., Fang, W.-H. and Cui, G. Mechanistic Insights into the Light-Driven Hydrogen Evolution Reaction from Formic Acid Mediated by an Iridium Photocatalyst. Catalysis Science & Technology. 2017, 7, 2763-2771.
Xiao, P., Wang, Q., Fang, W.-H. and Cui, G. Quantum Chemical Investigation on Photochemical Reactions of Nonanoic Acids at Air-Water Interface. J. Phys. Chem. A. 2017, 121, 4253-4262.
Xiao, H., Ma, L., Fang, W. and Chen, X. A Poh Jump Driven by N=N out-of-Plane Motion in the Photoisomerization of Water-Solvated Triazabutadiene. J. Phys. Chem. A. 2017, 121, 4939-4947.
Wu, L., Ouyang, B., Zhao, Y., Xue, J., Zheng, X., Xie, B. and Fang, W. Nonadiabatic Decay Dynamics of Phthalide from the Light-Absorbing S-3(Pi Pi*) State-Resonance Raman Spectroscopy and Casscf Study. Journal of Raman Spectroscopy. 2017, 48, 1201-1211.
Wen, C., Wan, M., Li, X., He, Q., Gao, L. and Fang, W. Formation Mechanism and Properties of Polyelectrolyte Multilayer-Supported Lipid Bilayers: A Coarse-Grained Molecular Dynamics Study. ACS Omega. 2017, 2, 910-917.
Wei, Y., Li, L., Fang, W., Long, R. and Prezhdo, O. V. Weak Donor-Acceptor Interaction and Interface Polarization Define Photoexcitation Dynamics in the Mos2/Tio2 Composite: Time-Domain Ab Initio Simulation. Nano Letters. 2017, 17, 4038-4046.
Qin, C., Fei, J., Cui, G., Liu, X., Fang, W., Yang, X., Liu, X. and Li, J. Covalent-Reaction-Induced Interfacial Assembly to Transform Doxorubicin into Nanophotomedicine with Highly Enhanced Anticancer Efficiency. Phys. Chem. Chem. Phys. 2017, 19, 23733-23739.
Long, R., Prezhdo, O. V. and Fang, W. Nonadiabatic Charge Dynamics in Novel Solar Cell Materials. Wiley Interdisciplinary Reviews-Computational Molecular Science. 2017, 7,
Long, R., Fang, W.-H. and Prezhdo, O. V. Strong Interaction at the Perovskite/Tio2 Interface Facilitates Ultrafast Photoinduced Charge Separation: A Nonadiabatic Molecular Dynamics Study. Journal of Physical Chemistry C. 2017, 121, 3797-3806.
Long, R., Casanova, D., Fang, W.-H. and Prezhdo, O. V. Donor Acceptor Interaction Determines the Mechanism of Photoinduced Electron Injection from Graphene Quantum Dots into Tio2:Pi-Stacking Supersedes Covalent Bonding. J. Am. Chem. Soc. 2017, 139, 2619-2629.
Liu, X.-Y., Xiao, P., Fang, W.-H. and Cui, G. Theoretical Studies of Spin State-Specific 2+2 and 5+2 Photocycloaddition Reactions of N-(1-Penten-5-Yl)Maleimide. Journal of Computational Chemistry. 2017, 38, 2388-2395.
Liu, X.-Y., Fang, Y.-G., Xie, B.-B., Fang, W.-H. and Cui, G. Qm/Mm Nonadiabatic Dynamics Simulations on Photoinduced Wolff Rearrangements of 1,2,3-Thiadiazole. J. Chem. Phys. 2017, 146, 224302.
Lin, H., Chang, X., Yan, D., Fang, W.-H. and Cui, G. Tuning Excited-State-Intramolecular-Proton-Transfer (Esipt) Process and Emission by Cocrystal Formation: A Combined Experimental and Theoretical Study. Chemical Science. 2017, 8, 2086-2090.
Huang, S., An, H., Viglia, S., Buonocore, E., Fang, W. and Ulgiati, S. Revisiting China-Africa Trade from an Environmental Perspective. Journal of Cleaner Production. 2017, 167, 553-570.
Fang, W.-H. Half-Metallicity in Transitional Metal Trihydride Molecular Nanowires. Acta Physico-Chimica Sinica. 2017, 33, 1512-1513.
Fang, W.-H. Computation-Driven Synthetic Chemistry: A Metal-Free Approach for Synthesis of 4-Substituted Pyridines. Acta Physico-Chimica Sinica. 2017, 33, 645-646.
Chen, S., Zhao, Z., Zhang, Y., Fang, W., Lu, J. and Zhang, X. Effect of Methoxy Group Position on Biological Properties of F-18-Labeled Benzyl Triphenylphosphonium Cations. Nuclear Medicine and Biology. 2017, 49, 16-23.
Chen, B., Krajewski, W. F., Liu, F., Fang, W. and Xu, Z. Estimating Instantaneous Peak Flow from Mean Daily Flow. Hydrology Research. 2017, 48, 1474-1488.
Chang, X.-P., Xiao, P., Han, J., Fang, W.-H. and Cui, G. A Theoretical Study of the Light-Induced Cross-Linking Reaction of 5-Fluoro-4-Thiouridine with Thymine. Phys. Chem. Chem. Phys. 2017, 19, 13524-13533.
Chang, X.-P., Gao, Y.-J., Fang, W.-H., Cui, G. and Thiel, W. Quantum Mechanics/Molecular Mechanics Study on the Photoreactions of Dark- and Light-Adapted States of a Blue-Light Ytva Lov Photoreceptor. Angew. Chem.-Int. Edit. 2017, 56, 9341-9345.
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