发表论文：(近三年)
1. B. Yang, K. Han, et. al. Angew. Chem. Int. Edit.2019, 58, 2278−2283.
2. R.L. Zhang, K. Han, et. al. Angew. Chem. Int. Edit. 2019, 58, 2725-2729.
3. B. Yang, K. Han, et. al. J. Am. Chem. Soc. 2018, 140, 17001-17006.
4. P.W. Zhou, Z.; K. Han, Acc. Chem. Res. 2018, 51, 1681-1690.
5. B. Yang, K. Han, et. al. J. Phys. Chem. Lett. 2018, 9, 3087−3092.
6. P.F. Cheng, K. Han, et. al. J. Phys. Chem. Lett. 2018, 9, 2518−2522.
7. B. Yang, K. Han, et. al. Angew. Chem. Int. Edit. 2018, 57, 5359-5363.
8. B. Yang, K. Han, et. al. J. Phys. Chem. Lett. 2018, 9, 5017−5022.
9. Li, G.-Y.; Han, K.-L. Wiley Interdisciplinary Reviews-Computational Molecular Science 2018, 8.
10. B. Yang, K. Han, et. al. Adv. Mater, 2017, 1703758（1-8）
11. C.L. Liu, K.Han, et. al. J. Am. Chem. Soc. 2017, 139, 12474-12479
12. J. Luo, Y. X. Mo* et al. J. Phys. Chem. Lett., 2017, 8, 1025−1030
13. P.F. Cheng, K. Han, et. al. J. Phys. Chem. Lett. 2017, 8, 4402−4406
14. J. Chen, K. Han*,et al. J. Phys. Chem. Lett. 2017, 8, 2316−2321
15. B. Yang, K. Han, et. al. Angew. Chem. Int. Edit. 2017, 56, 12471-12475
出版专著：
（ 1 ） 势能面与分子碰撞理论, Potential Energy Surface and Molecular Collision Theory, 吉林大学出版社, 2009-01, 第 1 作者
（ 2 ） 速率常数的计算, Reaction Rate Constant Computations, RCS, 2009-10, 第 1 作者
（ 3 ） 激发态的氢键和转移, Hydrogen Bonding and Transfer in the Excited State , WILEY出版社, 2010-01, 第 1 作者
（ 4 ） 蛋白质构象动力学, Protein Conformational Dynamics, Springer, 2014-09, 第 1 作者
发表论文
（1） Carrier Multiplication and Hot-Carrier Cooling Dynamics in Quantum-Confined CsPbI3 Perovskite Nanocrystals, Journal of Physical Chemistry Letters, 2020, 通讯作者（2） Unraveling the Mechanism of cyclo-N-5(-) Production through Selective C-N Bond Cleavage of Arylpentazole with Ferrous Bisglycinate and m-Chloroperbenzonic Acid: A Theoretical Perspective, Journal of Physical Chemistry Letters, 2020, 通讯作者（3） Detection of atherosclerosis-related hypochlorous acid produced in foam cells with a localized endoplasmic reticulum probe, Chemical Communications, 2020, 通讯作者（4） Air-Stable, Lead-Free Zero-Dimensional Mixed Bismuth-Antimony Perovskite Single Crystals with Ultra-broadband Emission, Angewandte Chemie-International Edition, 2019, 通讯作者（5） Colloidal Synthesis and Charge-Carrier Dynamics of Cs2AgSb1-yBiyX6 (X: Br, Cl; 0 <= y <= 1) Double Perovskite Nanocrystals, Angewandte Chemie-International Edition, 2019, 通讯作者（6） Hetero-bichromophore Dyad as a Highly Efficient Triplet Acceptor for Polarity Tuned Triplet-Triplet Annihilation, The journal of physical chemistry letters, 2019, 通讯作者（7） Charge-Carrier Dynamics of Lead-Free Halide Perovskite Nanocrystals, Accounts of chemical research, 2019, 通讯作者（8） Substitution Dependent Ultrafast Ultraviolet Energy Dissipation Mechanisms of Plant Sunscreens, Journal of Physical Chemistry Letters, 2019, 通讯作者（9） New Insight into the Photoprotection Mechanism of Plant Sunscreens: Adiabatic Relaxation Competing with Nonadiabatic Relaxation in the cis trans Photoisomerization of Methyl Sinapate, The journal of physical chemistry letters, 2019, 通讯作者（10） Size effect of lead-free halide double perovskite on luminescence property, Science China-Chemistry, 2019, 通讯作者（11） Lead-Free Direct Band Gap Double-Perovskite Nanocrystals with Bright Dual-Color Emission, Journal of the American Chemical Society, 2018, 通讯作者（12） High Resolution Mapping of Two-Photon Excited Photocurrent in Perovskite Microplate Photodetector, Journal of Physical Chemistry Letters, 2018, 通讯作者（13） Lead-Free, Two-Dimensional Mixed Germanium and Tin Perovskites, Journal of Physical Chemistry Letters, 2018, 通讯作者（14） The sensing mechanism studies of the fluorescent probes with electronically excited state calculations, Wiley Interdisciplinary Reviews-Computational Molecular Science, 2018, 通讯作者（15） A Revisit to the Orthogonal Bodipy Dimers: Experimental Evidence for the Symmetry Breaking Charge Transfer-Induced Intersystem Crossing, Journal of Physical Chemistry C, 2018, 通讯作者（16） First-Principles Screening of All-Inorganic Lead-Free ABX(3) Perovskites, Journal of Physical Chemistry C, 2018, 通讯作者（17） Lead-Free Silver-Bismuth Halide Double Perovskite Nanocrystals, Angewandte Chemie-International Edition, 2018, 通讯作者（18） Constructing Sensitive and Fast Lead-Free Single-Crystalline Perovskite Photodetectors, The journal of physical chemistry letters, 2018, 通讯作者（19） Unraveling the Detailed Mechanism of Excited-State Proton Transfer, Acc. Chem. Res., 2018, 通讯作者（20） Ultrasensitive and Fast All-Inorganic Perovskite-Based Photodetector via Fast Carrier Diffusion, Advanced Materials, 2017, 通讯作者（21） Size- and Wavelength-Dependent Two-Photon Absorption Cross-Section of CsPbBr3 Perovskite Quantum Dots, Journal of Physical Chemistry Letters, 2017, 通讯作者（22） (C6H5C2H4NH3)(2)GeI4: A Layered Two-Dimensional Perovskite with Potential for Photovoltaic Applications, Journal of Physical Chemistry Letters, 2017, 通讯作者（23） Intraligand Charge Transfer Sensitization on Self-Assembled Europium Tetrahedral Cage Leads to Dual-Selective Luminescent Sensing toward Anion and Cation, Journal of the American Chemical Society, 2017, 通讯作者（24） Ultrafast Barrierless Photoisomerization and Strong Ultraviolet Absorption of Photoproducts in Plant Sunscreens, Journal of Physical Chemistry Letters, 2017, 通讯作者（25） Lead-Free, Air-Stable All-Inorganic Cesium Bismuth Halide Perovskite Nanocrystals, Angewandte Chemie-International Edition, 2017, 通讯作者（26） Direct Observation of a Triplet-State Absorption-Emission Conversion in a Fullerene-Functionalized Pt(II), Journal of Physical Chemistry C, 2017, 通讯作者（27） Redox-Responsive Fluorescent Probes with Different Design Strategies, Acc. Chem. Res., 2015, 通讯作者（28） Quantitative prediction of charge mobilities of pi-stacked systems by first-principles simulation, NATURE PROTOCOLS, 2015, 通讯作者（29） Photophysical Properties of a Post-Self-Assembly Host/Guest Coordination Cage: Visible Light Driven Core-to-Cage Charge Transfer, Journal of Physical Chemistry Letters, 2015, 通讯作者（30） Photophysical Properties of Self-Assembled Multinuclear Platinum Metallacycles with Different Conformational Geometries, J. Am. Chem. Soc., 2013, 通讯作者（31） A reversible fluorescent probe for detecting hypochloric acid in living cells and animals: utilizing a novel strategy for effectively modulating the fluorescence of selenide and selenoxide, Chem. Commun, 2013, 通讯作者（32） A fluorescent probe for rapid detection of thiols and imaging of thiols reducing repair and H2O2 oxidative stress cycles in living cells, Chem. Commun., 2013, 通讯作者（33） A near-infrared reversible and ratiometric fluorescent probe based on Se-BODIPY for the redox cycle mediated by hypobromous acid and hydrogen sulfide in living cells, Chem. Commun., 2013, 通讯作者（34） Reversible Near-Infrared Fluorescent Probe Introducing Tellurium to Mimetic Glutathione Peroxidase for Monitoring the Redox Cycles between Peroxynitrite and Glutathione in Vivo, J. Am. Chem. Soc., 2013, 通讯作者（35） An ICT-based strategy to a colorimetric and ratiometric fluorescence probe for hydrogen sulfide in living cells, Chem. Commun., 2012, 通讯作者（36） Hydrogen Bonding in the Electronic Excited State, Acc. Chem. Res., 2012, 通讯作者（37） Catalytic Mechanism of Cytochrome P450 for 5′-Hydroxylation of Nicotine: Fundamental Reaction Pathways and Stereoselectivity, J. Am. Chem. Soc., 2011, 通讯作者（38） A TD-DFT Study on the Cyanide-Chemosensing Mechanism of 8-Formyl-7-hydroxycoumarin, J. Comput. Chem., 2011, 通讯作者（39） Simulation of Hole Mobility in α-Oligofuran Crystals. Jindou Huang, J. Phys. Chem. B, 2011, 通讯作者（40） Molecular Dynamics Simulation Reveals Preorganization of the Chloroplast FtsY towards Complex Formation induced by GTP Binding, J. Struct. Biol., 2011, 通讯作者（41） Anion-Exchange-Triggered 1,3-Shift of an NH Proton to Iridium in Protic N-Heterocyclic Carbenes: Hydrogen-Bonding and Ion-Pairing Effects, Angew. Chem. Int. Ed., 2010, 通讯作者（42） Ultra-Low Resistance at TTF-TCNQ Organic Interfaces, Chem. Commun., 2010, 通讯作者（43） Theoretical Insights into Hydrogen Bonding and Its Influence on the Structural and Spectral Properties of Aquo Palladium(II) Complexes: cis-[(dppp)Pd(H2O)2]2+, cis-[(dppp)Pd(H2O)(OSO2CF3)]+(OSO2CF3)ˉ, and cis-[(dppp)Pd(H2O)2]2+(OSO2CF3)ˉ2, J. Chem. Theory Comput., 2009, 通讯作者（44） Selectivity of Neutral/Weakly Basic P1 Group Inhibitors of Thrombin and Trypsin by a Molecular Dynamics Study, Chem. Eur. J., 2008, 通讯作者（45） Photoinduced Intramolecular Charge Transfer and S2 Fluorescence in Thiophene-π-Conjugated Donor-Acceptor Systems: Experimental and TDDFT Studies, Chem. Eur. J., 2008, 通讯作者（46） Photochemistry of Aryl Halides: Photodissociation Dynamics, Journal of Photochemistry and Photobiology C: Photochemistry Reviews, 2007, 通讯作者（47） The Time-Dependent Quantum Wave Packet Approach to the Electronically Nonadiabatic Processes in Chemical Reactions, Int. Rev. Phys. Chem., 2006, 通讯作者（48） Correlation Quantum Dynamics between an Electron and D2+ Molecule with Attosecond Resolution, Phys. Rev. Lett., 2005, 通讯作者
