Shiyu Du, Ph.D. - Publications

2009 Chemistry Purdue University, West Lafayette, IN, United States 
spectroscopy, kinetics and photochemistry of novel transient species in the gas phase

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Year Citation  Score
2024 Sun J, Jiang Y, Du S, Chen L, Francisco JS, Cui S, Huang Q, Qian L. Charge Redistribution in Mechanochemical Reactions for Solid Interfaces. Nano Letters. PMID 38808664 DOI: 10.1021/acs.nanolett.4c00457  0.409
2023 Sun J, Zhang X, Du S, Pu J, Wang Y, Yuan Y, Qian L, Francisco JS. Charge Density Evolution Governing Interfacial Friction. Journal of the American Chemical Society. PMID 36811399 DOI: 10.1021/jacs.3c00335  0.406
2022 Sun J, Cheng Z, Huang Q, He H, Francisco JS, Du S. Universal Principle for Large-Scale Production of a High-Quality Two-Dimensional Monolayer via Positive Charge-Driven Exfoliation. The Journal of Physical Chemistry Letters. 6597-6603. PMID 35833746 DOI: 10.1021/acs.jpclett.2c01403  0.398
2021 Wei B, Fu Z, Legut D, Germann TC, Du S, Zhang H, Francisco JS, Zhang R. Rational Design of Highly Stable and Active MXene-Based Bifunctional ORR/OER Double-Atom Catalysts. Advanced Materials (Deerfield Beach, Fla.). e2102595. PMID 34342921 DOI: 10.1002/adma.202102595  0.381
2020 Zhou Y, Zhu G, An P, Du S. First-principles investigations on MXene-Blue Phosphorene and MXene-MoS2Transistors. Nanotechnology. PMID 32442982 DOI: 10.1088/1361-6528/Ab95B4  0.332
2020 Li Y, Shao H, Lin Z, Lu J, Liu L, Duployer B, Persson POÅ, Eklund P, Hultman L, Li M, Chen K, Zha XH, Du S, Rozier P, Chai Z, et al. A general Lewis acidic etching route for preparing MXenes with enhanced electrochemical performance in non-aqueous electrolyte. Nature Materials. PMID 32284597 DOI: 10.1038/S41563-020-0657-0  0.319
2020 Bai X, Zha XH, Qiao Y, Qiu N, Zhang Y, Luo K, He J, Li Q, Huang Q, Francisco JS, Lin CT, Du S. Two-dimensional semiconducting LuCT (T = F, OH) MXene with low work function and high carrier mobility. Nanoscale. PMID 31994570 DOI: 10.1039/C9Nr10806H  0.501
2020 Shi D, Song J, Liu Z, Li H, Bu M, Li Y, Zhang B, Chen X, Yan T, Qin Y, Guo Y, Du S. Defective structures in FeCrAl alloys from first principles calculations Japanese Journal of Applied Physics. 59: 46003. DOI: 10.35848/1347-4065/Ab7A46  0.315
2020 Yu X, Liu Y, Du S, Zheng X, Zhu J, Xu H, Zhang J, Du S, Zeng X, Francisco JS, Jin C, Zhao Y, Li H. CH4 Gas Extraction by CO2: Substitution in Clathrate Hydrate through Bimolecular Iteration Chinese Physics Letters. 37: 048201. DOI: 10.1088/0256-307X/37/4/048201  0.397
2020 Song J, Guo Y, Bu M, Liu Z, Shi D, Huang Q, Du S. Theoretical investigations on the U2Mo3Si4 compound from first-principles calculations Progress in Nuclear Energy. 118: 103121. DOI: 10.1016/J.Pnucene.2019.103121  0.327
2020 Zhang Y, Mao Z, Han Q, Li Y, Li M, Du S, Chai Z, Huang Q. The role of Hume-Rothery's rules play in the MAX phases formability Materialia. 12: 100810. DOI: 10.1016/J.Mtla.2020.100810  0.308
2020 Xu J, Qiu N, Huang Q, Du S. Theoretical investigations on structural and thermo-mechanical properties of layered ternary carbide Th–Al–C systems Journal of Nuclear Materials. 540: 152358. DOI: 10.1016/J.Jnucmat.2020.152358  0.363
2020 Zhang Y, Zha X, Luo K, Qin Y, Bai X, Xu J, Lin C, Huang Q, Du S. Theoretical Study on the Electrical and Mechanical Properties of MXene Multilayer Structures through Strain Regulation Chemical Physics Letters. 137997. DOI: 10.1016/J.Cplett.2020.137997  0.302
2019 Li Y, Lu J, Li M, Chang K, Zha X, Zhang Y, Chen K, Persson POÅ, Hultman L, Eklund P, Du S, Francisco JS, Chai Z, Huang Z, Huang Q. Multielemental single-atom-thick layers in nanolaminated V(Sn, ) C ( = Fe, Co, Ni, Mn) for tailoring magnetic properties. Proceedings of the National Academy of Sciences of the United States of America. PMID 31879341 DOI: 10.1073/Pnas.1916256117  0.49
2019 Qin Y, Zha XH, Bai X, Luo K, Huang Q, Wang Y, Du S. Structural, mechanical and electronic properties of two-dimensional chlorine-terminated transition metal carbides and nitrides. Journal of Physics. Condensed Matter : An Institute of Physics Journal. PMID 31822646 DOI: 10.1088/1361-648X/Ab6048  0.334
2019 Fu Z, Wang N, Legut D, Si C, Zhang Q, Du S, Germann TC, Francisco JS, Zhang R. Rational Design of Flexible Two-Dimensional MXenes with Multiple Functionalities. Chemical Reviews. PMID 31710485 DOI: 10.1021/Acs.Chemrev.9B00348  0.5
2019 Dai W, Ma T, Yan Q, Gao J, Tan X, Lv L, Hou H, Wei Q, Yu J, Wu J, Yao Y, Du S, Sun R, Jiang N, Wang Y, et al. Metal-Level Thermally Conductive yet Soft Graphene Thermal Interface Materials. Acs Nano. PMID 31550125 DOI: 10.1021/Acsnano.9B05163  0.332
2019 Li Y, Li M, Lu J, Ma B, Wang Z, Cheong LZ, Luo K, Zha X, Chen K, Persson POÅ, Hultman L, Eklund P, Shen C, Wang Q, Xue J, ... Du S, et al. Single-Atom-Thick Active Layers Realized in Nanolaminated Ti3(AlxCu1-x)C2 and Its Artificial Enzyme Behavior. Acs Nano. PMID 31330102 DOI: 10.1021/Acsnano.9B03530  0.302
2019 Liu Z, Chen Y, Li Y, Dai W, Yan Q, Alam FE, Du S, Wang Z, Nishimura K, Jiang N, Lin CT, Yu J. Graphene foam-embedded epoxy composites with significant thermal conductivity enhancement. Nanoscale. PMID 31264666 DOI: 10.1039/C9Nr03968F  0.319
2019 Tian H, Luo K, Lang J, Zhou Y, Yan T, Qiu N, Zhang J, Huang Q, Du S. Predictions of the structures and properties of the substituted layered ternary compound series (Zr1-xTx)3Al3C5 (T=Hf, Nb, and V) through first-principles studies. Journal of Physics. Condensed Matter : An Institute of Physics Journal. PMID 31189138 DOI: 10.1088/1361-648X/Ab2952  0.352
2019 Wu M, Hou B, Shu S, Li A, Geng Q, Li H, Shi Y, Yang M, Du S, Wang JQ, Liao S, Jiang N, Dai D, Lin CT. High Oxidation Resistance of CVD Graphene-Reinforced Copper Matrix Composites. Nanomaterials (Basel, Switzerland). 9. PMID 30939727 DOI: 10.3390/Nano9040498  0.302
2019 Dai W, Lv L, Lu J, Hou H, Yan Q, Alam FE, Li Y, Zeng X, Yu J, Wei Q, Xu X, Wu J, Jiang N, Du S, Sun R, et al. A Paper-Like Inorganic Thermal Interface Material Composed of Hierarchically Structured Graphene/Silicon Carbide Nanorods. Acs Nano. PMID 30726676 DOI: 10.1021/Acsnano.8B07337  0.336
2019 Zhou J, Zha XH, Yildizhan M, Eklund P, Xue J, Liao M, Persson POÅ, Du S, Huang Q. Two-Dimensional Hydroxyl-Functionalized and Carbon-Deficient Scandium Carbide, ScC OH, a Direct Bandgap Semiconductor. Acs Nano. PMID 30703319 DOI: 10.1021/Acsnano.8B06279  0.318
2019 Fu Z, Liu Z, Legut D, Germann TC, Si C, Du S, Francisco JS, Zhang R. Designing Flexible Quantum Spin Hall Insulators through 2D Ordered Hybrid Transition-Metal Carbides The Journal of Physical Chemistry C. 123: 20664-20674. DOI: 10.1021/Acs.Jpcc.9B05962  0.301
2019 Zhang X, Lang J, Huang Q, Germann TC, Qiao Y, Ding J, Gao H, Du S. Electronic structures, mechanical properties and defect formation energies of U3Si5 from density functional theory calculations Progress in Nuclear Energy. 116: 87-94. DOI: 10.1016/J.Pnucene.2019.03.045  0.365
2019 Zhang X, Li Y, Qiao Y, Chen H, Wang Y, Germann TC, Huang Q, Bai X, Zhou X, Guo Y, Luo K, Du S. First-principles study on the stability and properties of β-SiC/M+1AlC (M=Sc, Ti, V, Cr, Zr, Nb, Mo, Hf, Ta; n=1,2) interfaces Journal of Physics and Chemistry of Solids. 127: 119-126. DOI: 10.1016/J.Jpcs.2018.10.024  0.341
2019 Chang K, Meng F, Ge F, Zhao G, Du S, Huang F. Theory-guided bottom-up design of the FeCrAl alloys as accident tolerant fuel cladding materials Journal of Nuclear Materials. 516: 63-72. DOI: 10.1016/J.Jnucmat.2019.01.002  0.325
2019 Dai X, Bai J, Huang Q, Liu Z, Bai X, Cao R, Wen X, Li W, Du S. Viscosity temperature properties from molecular dynamics simulation: The role of calcium oxide, sodium oxide and ferrous oxide Fuel. 237: 163-169. DOI: 10.1016/J.Fuel.2018.09.127  0.307
2019 Zhou Y, Peng Z, Chen Y, Luo K, Zhang J, Du S. First-principles study of the electronic, optical and transport of few-layer semiconducting MXene Computational Materials Science. 168: 137-143. DOI: 10.1016/J.Commatsci.2019.05.051  0.31
2018 Fu Z, Zhang S, Legut D, Germann TC, Si C, Du S, Francisco JS, Zhang R. A synergetic stabilization and strengthening strategy for two-dimensional ordered hybrid transition metal carbides. Physical Chemistry Chemical Physics : Pccp. PMID 30475359 DOI: 10.1039/C8Cp06458J  0.511
2018 Fu Z, Legut D, Germann TC, Si C, Du S, Francisco JS, Zhang R. Phonon-mediated stabilization and softening of 2D transition metal carbides: case studies of TiCO and MoCO. Physical Chemistry Chemical Physics : Pccp. PMID 29766161 DOI: 10.1039/C8Cp00752G  0.505
2018 Zha XH, Ren JC, Feng L, Bai X, Luo K, Zhang Y, He J, Huang Q, Francisco JS, Du S. Bipolar magnetic semiconductors among intermediate states during the conversion from ScC(OH) to ScCO MXene. Nanoscale. PMID 29708262 DOI: 10.1039/C8Nr01292J  0.507
2018 Zhou Y, Zhai G, Yan T, Francisco JS, Tian H, Huang Q, Du S. Effects of Different Surface Functionalization and Doping on the Electronic Transport Properties of M2CTx–M2CO2 Heterojunction Devices The Journal of Physical Chemistry C. 122: 14908-14917. DOI: 10.1021/Acs.Jpcc.8B02026  0.332
2018 Fu Z, Zhang H, Si C, Legut D, Germann TC, Zhang Q, Du S, Francisco JS, Zhang R. Mechanistic Quantification of Thermodynamic Stability and Mechanical Strength for Two-Dimensional Transition-Metal Carbides The Journal of Physical Chemistry C. 122: 4710-4722. DOI: 10.1021/Acs.Jpcc.8B00142  0.379
2018 Zhang X, Qiu N, Huang Q, Zha X, He J, Li Y, Du S. Theoretical studies on microstructures, stabilities and formation conditions of some sour gas in the type I, II, and H clathrate hydrates Journal of Molecular Structure. 1153: 292-298. DOI: 10.1016/J.Molstruc.2017.09.087  0.311
2018 Shao J, Li M, Chang K, Huang Y, Ren D, Wang J, Zhou X, He L, Huang F, Du S, Sha J, Huang Z, Huang Q. Fabrication and characterization of SPS sintered SiC-based ceramic from Y3Si2C2-coated SiC powders Journal of the European Ceramic Society. 38: 4833-4841. DOI: 10.1016/J.Jeurceramsoc.2018.07.054  0.328
2018 Li M, Chen F, Si X, Wang J, Du S, Huang Q. Copper–SiC whiskers composites with interface optimized by Ti3SiC2 Journal of Materials Science. 53: 9806-9815. DOI: 10.1007/S10853-018-2255-Y  0.306
2017 Chen K, Qiu N, Deng Q, Kang MH, Yang H, Baek JU, Koh YH, Du S, Huang Q, Kim HE. Cytocompatibility of TiAlC, TiSiC, and TiAlN: Tests and First-Principles Calculations. Acs Biomaterials Science & Engineering. 3: 2293-2301. PMID 33445288 DOI: 10.1021/Acsbiomaterials.7B00432  0.303
2017 Alam FE, Yu J, Shen D, Dai W, Li H, Zeng X, Yao Y, Du S, Jiang N, Lin CT. Highly Conductive 3D Segregated Graphene Architecture in Polypropylene Composite with Efficient EMI Shielding. Polymers. 9. PMID 30965967 DOI: 10.3390/Polym9120662  0.313
2017 Zhang H, Fu Z, Zhang R, Zhang Q, Tian H, Legut D, Germann TC, Guo Y, Du S, Francisco JS. Designing flexible 2D transition metal carbides with strain-controllable lithium storage. Proceedings of the National Academy of Sciences of the United States of America. PMID 29229853 DOI: 10.1073/Pnas.1717219115  0.523
2017 Zhou J, Zha X, Zhou X, Chen F, Gao G, Wang S, Shen C, Chen T, Zhi C, Eklund P, Du S, Xue J, Shi W, Chai Z, Huang Q. Synthesis and Electrochemical Properties of Two-Dimensional Hafnium Carbide. Acs Nano. PMID 28375599 DOI: 10.1021/Acsnano.7B00030  0.326
2017 Sun N, Li Z, Qiu N, Yu X, Zhang X, Li Y, Yang L, Luo K, Huang Q, Du S. Ab Initio Studies on the Clathrate Hydrates of Some Nitrogen and Sulfur Containing Gases. The Journal of Physical Chemistry. A. PMID 28304172 DOI: 10.1021/Acs.Jpca.6B11850  0.309
2017 Zha XH, Zhou J, Luo K, Lang J, Huang Q, Zhou X, Francisco J, He J, Du S. Controllable magnitude and anisotropy of the electrical conductivity of Hf3C2O2 MXene. Journal of Physics. Condensed Matter : An Institute of Physics Journal. PMID 28234238 DOI: 10.1088/1361-648X/Aa62Da  0.452
2017 Luo K, Zha X, Huang Q, Lin C, Zhang R, Du S. Theoretical investigations on helium trapping in the Zr/Ti 2 AlC interface Surface and Coatings Technology. 322: 19-24. DOI: 10.1016/J.Surfcoat.2017.05.031  0.341
2017 Si X, Li M, Chen F, Eklund P, Xue J, Huang F, Du S, Huang Q. Effect of carbide interlayers on the microstructure and properties of graphene-nanoplatelet-reinforced copper matrix composites Materials Science and Engineering: A. 708: 311-318. DOI: 10.1016/J.Msea.2017.10.015  0.3
2017 Yang H, Zhou X, Shi W, Wang J, Li P, Chen F, Deng Q, Lee J, Han Y, Huang F, He L, Du S, Huang Q. Thickness-dependent phase evolution and bonding strength of SiC ceramics joints with active Ti interlayer Journal of the European Ceramic Society. 37: 1233-1241. DOI: 10.1016/J.Jeurceramsoc.2016.12.009  0.305
2017 Zhou Y, Zhai G, Yan T, Huang Q, Guo Z, Lin C, Du S. Current rectification induced by V-doped and Sc-doped in Ti2CO2 devices Computational Materials Science. 138: 175-182. DOI: 10.1016/J.Commatsci.2017.06.017  0.302
2017 Feng L, Zha X, Luo K, Huang Q, He J, Liu Y, Deng W, Du S. Structures and Mechanical and Electronic Properties of the Ti 2 CO 2 MXene Incorporated with Neighboring Elements (Sc, V, B and N) Journal of Electronic Materials. 46: 2460-2466. DOI: 10.1007/S11664-017-5311-5  0.338
2017 Lu B, Yang X, Zhou J, Jing L, Shen L, Zhou X, Du S, Huang Q. Effect of electric current on diffusion of aluminum in Ti3AlC2 into zirconium alloy Journal of Wuhan University of Technology-Mater. Sci. Ed.. 32: 645-649. DOI: 10.1007/S11595-017-1647-1  0.304
2017 Sun J, Zhang Y, Feng Y, Lu Z, Xue Q, Du S, Wang L. How Vertical Compression Triggers Lateral Interlayer Slide for Metallic Molybdenum Disulfide? Tribology Letters. 66. DOI: 10.1007/S11249-017-0971-0  0.317
2016 Zha XH, Huang Q, He J, He H, Zhai J, Francisco JS, Du S. The thermal and electrical properties of the promising semiconductor MXene Hf2CO2. Scientific Reports. 6: 27971. PMID 27302597 DOI: 10.1038/Srep27971  0.495
2016 Zhou J, Zha X, Chen FY, Ye Q, Eklund P, Du S, Huang Q. A Two-Dimensional Zirconium Carbide by Selective Etching of Al3 C3 from Nanolaminated Zr3 Al3 C5. Angewandte Chemie (International Ed. in English). PMID 26959082 DOI: 10.1002/Anie.201510432  0.323
2016 Zha XH, Zhou J, Zhou Y, Huang Q, He J, Francisco JS, Luo K, Du S. Promising electron mobility and high thermal conductivity in Sc2CT2 (T = F, OH) MXenes. Nanoscale. PMID 26932122 DOI: 10.1039/C5Nr08639F  0.499
2016 Li X, Sun S, Zhang J, Luo K, Gao P, Wu T, Du S, Wang Y, Zhou X, Sha L, Yang Y, Yang P, Wang Y, Chen Y. Hybridization of inorganic CoB noncrystal with graphene and its Kubas-enhanced hydrogen adsorption at room temperature Rsc Advances. 6: 93238-93244. DOI: 10.1039/C6Ra19238F  0.305
2016 Liu Z, Shen D, Yu J, Dai W, Li C, Du S, Jiang N, Li H, Lin CT. Exceptionally high thermal and electrical conductivity of three-dimensional graphene-foam-based polymer composites Rsc Advances. 6: 22364-22369. DOI: 10.1039/C5Ra27223H  0.312
2016 Zhou Y, Luo K, Zha X, Liu Z, Bai X, Huang Q, Guo Z, Lin CT, Du S. Electronic and transport properties of Ti2CO2 MXene nanoribbons Journal of Physical Chemistry C. 120: 17143-17152. DOI: 10.1021/Acs.Jpcc.6B06426  0.305
2016 Zha XH, Yin J, Zhou Y, Huang Q, Luo K, Lang J, Francisco JS, He J, Du S. Intrinsic Structural, Electrical, Thermal, and Mechanical Properties of the Promising Conductor Mo2C MXene Journal of Physical Chemistry C. 120: 15082-15088. DOI: 10.1021/Acs.Jpcc.6B04192  0.499
2016 Dai X, He J, Bai J, Huang Q, Wen X, Xie L, Luo K, Zhang J, Li W, Du S. Ash Fusion Properties from Molecular Dynamics Simulation: Role of the Ratio of Silicon and Aluminum Energy and Fuels. 30: 2407-2413. DOI: 10.1021/Acs.Energyfuels.5B02586  0.304
2016 Zhou Y, Qiu N, Li R, Guo Z, Zhang J, Fang J, Huang A, He J, Zha X, Luo K, Yin J, Li Q, Bai X, Huang Q, Du S. Negative differential resistance and rectifying performance induced by doped graphene nanoribbons p-n device Physics Letters, Section a: General, Atomic and Solid State Physics. 380: 1049-1055. DOI: 10.1016/J.Physleta.2016.01.010  0.323
2016 Jin E, Du S, Li M, Liu C, He S, He J, He H. Influence of helium atoms on the shear behavior of the fiber/matrix interphase of SiC/SiC composite Journal of Nuclear Materials. 479: 504-514. DOI: 10.1016/J.Jnucmat.2016.07.041  0.321
2016 Wang T, Qiu N, Wen X, Tian Y, He J, Luo K, Zha X, Zhou Y, Huang Q, Lang J, Du S. First-principles investigations on the electronic structures of U3Si2 Journal of Nuclear Materials. 469: 194-199. DOI: 10.1016/J.Jnucmat.2015.11.060  0.335
2016 Liu G, Li Q, Qiu N, He J, Huang Q, Luo K, Lin F, Lin C, Du S. Structural, electronic and mechanical properties of (NbxTi1−x)2SC and (NbxZr1−x)2SC (0 ⩽ x ⩽ 1) from first-principles investigations Computational and Theoretical Chemistry. 1090: 58-66. DOI: 10.1016/J.Comptc.2016.05.013  0.366
2016 Gong J, Liu Z, Yu J, Dai D, Dai W, Du S, Li C, Jiang N, Zhan Z, Lin CT. Graphene woven fabric-reinforced polyimide films with enhanced and anisotropic thermal conductivity Composites Part a: Applied Science and Manufacturing. 87: 290-296. DOI: 10.1016/J.Compositesa.2016.05.010  0.309
2015 Xu Y, Bai X, Zha X, Huang Q, He J, Luo K, Zhou Y, Germann TC, Francisco JS, Du S. New insight into the helium-induced damage in MAX phase Ti3AlC2 by first-principles studies. The Journal of Chemical Physics. 143: 114707. PMID 26395728 DOI: 10.1063/1.4931398  0.489
2015 Zha XH, Luo K, Li Q, Huang Q, He J, Wen X, Du S. Role of the surface effect on the structural, electronic and mechanical properties of the carbide MXenes Epl. 111. DOI: 10.1209/0295-5075/111/26007  0.345
2015 Luo K, Deng Q, Zha X, Huang Q, Francisco JS, Yu X, Qiao Y, He J, Du S. Electronic structures and mechanical properties of Al(111)/ZrB2(0001) heterojunctions from first-principles calculation Molecular Physics. DOI: 10.1080/00268976.2015.1014441  0.485
2015 Ye Q, Xiao P, Liu W, Chen K, Chen T, Xue J, Du S, Huang Q. Exploring the potential of exfoliated ternary ultrathin Ti4AlN3 nanosheets for fabricating hybrid patterned polymer brushes Rsc Advances. 5: 70339-70344. DOI: 10.1039/C5Ra09227B  0.311
2015 Reddy MP, Mohamed AMA, Zhou XB, Du S, Huang Q. A facile hydrothermal synthesis, characterization and magnetic properties of mesoporous CoFe2O4 nanospheres Journal of Magnetism and Magnetic Materials. 388: 40-44. DOI: 10.1016/J.Jmmm.2015.04.009  0.303
2014 Yu X, Zhu J, Du S, Xu H, Vogel SC, Han J, Germann TC, Zhang J, Jin C, Francisco JS, Zhao Y. Crystal structure and encapsulation dynamics of ice II-structured neon hydrate. Proceedings of the National Academy of Sciences of the United States of America. 111: 10456-61. PMID 25002464 DOI: 10.1073/Pnas.1410690111  0.453
2014 Zhu J, Du S, Yu X, Zhang J, Xu H, Vogel SC, Germann TC, Francisco JS, Izumi F, Momma K, Kawamura Y, Jin C, Zhao Y. Encapsulation kinetics and dynamics of carbon monoxide in clathrate hydrate. Nature Communications. 5: 4128. PMID 24936712 DOI: 10.1038/Ncomms5128  0.455
2011 Du S, Germann TC, Francisco JS, Peterson KA, Yu HG, Lyons JR. The kinetics study of the S + S2 → S3 reaction by the chaperone mechanism. The Journal of Chemical Physics. 134: 154508. PMID 21513396 DOI: 10.1063/1.3572226  0.441
2009 Du S, Francisco JS, Schenter GK, Garrett BC. Interaction of ClO radical with liquid water. Journal of the American Chemical Society. 131: 14778-85. PMID 19788303 DOI: 10.1021/Ja9033186  0.447
2009 Du S, Francisco JS. OH.N2 and SH.N2 radical-molecule van der Waals complex. The Journal of Chemical Physics. 131: 064307. PMID 19691388 DOI: 10.1063/1.3204980  0.46
2009 Du S, Francisco JS, Kais S. Study of electronic structure and dynamics of interacting free radicals influenced by water. The Journal of Chemical Physics. 130: 124312. PMID 19334835 DOI: 10.1063/1.3100549  0.484
2009 Du S, Francisco JS. Spectroscopic properties and stability of the SH x H2O open shell complex. The Journal of Chemical Physics. 130: 124304. PMID 19334827 DOI: 10.1063/1.3089869  0.451
2008 Du S, Francisco JS, Shepler BC, Peterson KA. Determination of the rate constant for sulfur recombination by quasiclassical trajectory calculations. The Journal of Chemical Physics. 128: 204306. PMID 18513018 DOI: 10.1063/1.2919569  0.442
2008 Du S, Francisco JS. Interaction between OH radical and the water interface. The Journal of Physical Chemistry. A. 112: 4826-35. PMID 18454512 DOI: 10.1021/Jp710509H  0.442
2008 Du S, Francisco JS, Schenter GK, Garrett BC. Many-body decomposition of the binding energies for OH.(H2O)2 and OH.(H2O)3 complexes. The Journal of Chemical Physics. 128: 084307. PMID 18315046 DOI: 10.1063/1.2828522  0.457
2007 Du S, Francisco JS, Schenter GK, Garrett BC. Ab initio and analytical intermolecular potential for ClO-H2O. The Journal of Chemical Physics. 126: 114304. PMID 17381203 DOI: 10.1063/1.2566537  0.465
2006 Du S, Francisco JS, Schenter GK, Iordanov TD, Garrett BC, Dupuis M, Li J. The OH radical-H2O molecular interaction potential. The Journal of Chemical Physics. 124: 224318. PMID 16784285 DOI: 10.1063/1.2200701  0.475
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