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- [42] Density Functional Theory Investigation of Oxidation Intermediates on Gold and Gold-Silver SurfacesJOURNAL OF PHYSICAL CHEMISTRY C, 2020, 124 (16): : 8843 - 8853Sensoy, Mehmet Gokhan论文数: 0 引用数: 0 h-index: 0机构: Recep Tayyip Erdogan Univ, Dept Phys, TR-53000 Rize, Turkey Harvard Univ, John A Paulson Sch Engn & Appl Sci, Cambridge, MA 02138 USAMontemore, Matthew M.论文数: 0 引用数: 0 h-index: 0机构: Harvard Univ, John A Paulson Sch Engn & Appl Sci, Cambridge, MA 02138 USA Harvard Univ, Dept Chem & Chem Biol, Cambridge, MA 02138 USA Harvard Univ, John A Paulson Sch Engn & Appl Sci, Cambridge, MA 02138 USA
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- [44] Density functional theory calculations for F-CHEMICAL PHYSICS LETTERS, 1999, 300 (1-2) : 44 - 52Jarecki, AA论文数: 0 引用数: 0 h-index: 0机构: Indiana Univ, Dept Chem, Bloomington, IN 47405 USA Indiana Univ, Dept Chem, Bloomington, IN 47405 USADavidson, ER论文数: 0 引用数: 0 h-index: 0机构: Indiana Univ, Dept Chem, Bloomington, IN 47405 USA Indiana Univ, Dept Chem, Bloomington, IN 47405 USA
- [45] Reproducibility in density functional theory calculations of solidsSCIENCE, 2016, 351 (6280)Lejaeghere, Kurt论文数: 0 引用数: 0 h-index: 0机构: Univ Ghent, Ctr Mol Modeling, Technol Pk 903, BE-9052 Zwijnaarde, Belgium Univ Ghent, Ctr Mol Modeling, Technol Pk 903, BE-9052 Zwijnaarde, BelgiumBihlmayer, Gustav论文数: 0 引用数: 0 h-index: 0机构: Forschungszentrum Julich, Peter Grunberg Inst, D-52425 Julich, Germany Forschungszentrum Julich, Inst Adv Simulat, D-52425 Julich, Germany Univ Ghent, Ctr Mol Modeling, Technol Pk 903, BE-9052 Zwijnaarde, BelgiumBjoerkman, Torbjoern论文数: 0 引用数: 0 h-index: 0机构: Abo Akad Univ, Dept Phys, FI-20500 Turku, Finland Aalto Univ, Sch Sci, Ctr Excellence Computat Nanosci, POB 11100, FI-00076 Aalto, Finland Aalto Univ, Sch Sci, Dept Appl Phys, POB 11100, FI-00076 Aalto, Finland Univ Ghent, Ctr Mol Modeling, Technol Pk 903, BE-9052 Zwijnaarde, BelgiumBlaha, Peter论文数: 0 引用数: 0 h-index: 0机构: Vienna Univ Technol, Inst Mat Chem, Getreidemarkt 9-165-TC, A-1060 Vienna, Austria Univ Ghent, Ctr Mol Modeling, Technol Pk 903, BE-9052 Zwijnaarde, BelgiumBluegel, Stefan论文数: 0 引用数: 0 h-index: 0机构: Forschungszentrum Julich, Peter Grunberg Inst, D-52425 Julich, Germany Forschungszentrum Julich, Inst Adv Simulat, D-52425 Julich, Germany Univ Ghent, Ctr Mol Modeling, Technol Pk 903, BE-9052 Zwijnaarde, BelgiumBlum, Volker论文数: 0 引用数: 0 h-index: 0机构: Duke Univ, Dept Mech Engn & Mat Sci, Durham, NC 27708 USA Univ Ghent, Ctr Mol Modeling, Technol Pk 903, BE-9052 Zwijnaarde, Belgium论文数: 引用数: h-index:机构:Castelli, Ivano E.论文数: 0 引用数: 0 h-index: 0机构: Ecole Polytech Fed Lausanne, Theory & Simulat Mat THEOS, CH-1015 Lausanne, Switzerland Ecole Polytech Fed Lausanne, Natl Ctr Computat Design & Discovery Novel Mat MA, CH-1015 Lausanne, Switzerland Univ Ghent, Ctr Mol Modeling, Technol Pk 903, BE-9052 Zwijnaarde, BelgiumClark, Stewart J.论文数: 0 引用数: 0 h-index: 0机构: Univ Durham, Dept Phys, South Rd, Durham DH1 3LE, England Univ Ghent, Ctr Mol Modeling, Technol Pk 903, BE-9052 Zwijnaarde, BelgiumDal Corso, Andrea论文数: 0 引用数: 0 h-index: 0机构: SISSA, Via Bonomea 265, I-34136 Trieste, Italy Univ Ghent, Ctr Mol Modeling, Technol Pk 903, BE-9052 Zwijnaarde, Belgiumde Gironcoli, Stefano论文数: 0 引用数: 0 h-index: 0机构: SISSA, Via Bonomea 265, I-34136 Trieste, Italy Univ Ghent, Ctr Mol Modeling, Technol Pk 903, BE-9052 Zwijnaarde, Belgium论文数: 引用数: h-index:机构:Dewhurst, John Kay论文数: 0 引用数: 0 h-index: 0机构: Max Planck Inst Mikrostrukturphys, Weinberg 2, D-06120 Halle, Germany Univ Ghent, Ctr Mol Modeling, Technol Pk 903, BE-9052 Zwijnaarde, BelgiumDi Marco, Igor论文数: 0 引用数: 0 h-index: 0机构: Uppsala Univ, Div Mat Theory, Dept Phys & Astron, POB 516, SE-75120 Uppsala, Sweden Univ Ghent, Ctr Mol Modeling, Technol Pk 903, BE-9052 Zwijnaarde, BelgiumDraxl, Claudia论文数: 0 引用数: 0 h-index: 0机构: Humboldt Univ, Inst Phys, Windkanal 6, D-12489 Berlin, Germany Humboldt Univ, IRIS, Windkanal 6, D-12489 Berlin, Germany Max Planck Gesell, Fritz Haber Inst, Faradayweg 4-6, D-14195 Berlin, Germany Univ Ghent, Ctr Mol Modeling, Technol Pk 903, BE-9052 Zwijnaarde, BelgiumDulak, Marcin论文数: 0 引用数: 0 h-index: 0机构: Tech Univ Denmark, Dept Phys, Ctr Atom Scale Mat Design, DK-2800 Lyngby, Denmark Univ Ghent, Ctr Mol Modeling, Technol Pk 903, BE-9052 Zwijnaarde, BelgiumEriksson, Olle论文数: 0 引用数: 0 h-index: 0机构: Uppsala Univ, Div Mat Theory, Dept Phys & Astron, POB 516, SE-75120 Uppsala, Sweden Univ Ghent, Ctr Mol Modeling, Technol Pk 903, BE-9052 Zwijnaarde, BelgiumFlores-Livas, Jose A.论文数: 0 引用数: 0 h-index: 0机构: Max Planck Inst Mikrostrukturphys, Weinberg 2, D-06120 Halle, Germany Univ Ghent, Ctr Mol Modeling, Technol Pk 903, BE-9052 Zwijnaarde, BelgiumGarrity, Kevin F.论文数: 0 引用数: 0 h-index: 0机构: NIST, Mat Measurement Lab, 100 Bur Dr,Stop 8553, Gaithersburg, MD 20899 USA Univ Ghent, Ctr Mol Modeling, Technol Pk 903, BE-9052 Zwijnaarde, Belgium论文数: 引用数: h-index:机构:Giannozzi, Paolo论文数: 0 引用数: 0 h-index: 0机构: Univ Udine, Dept Math Comp Sci & Phys, Via Sci 206, I-33100 Udine, Italy Univ Ghent, Ctr Mol Modeling, Technol Pk 903, BE-9052 Zwijnaarde, BelgiumGiantomassi, Matteo论文数: 0 引用数: 0 h-index: 0机构: Catholic Univ Louvain, Inst Condensed Matter & Nanosci Nanoscop, Chemin Etoiles 8, BE-1348 Louvain, Belgium Univ Ghent, Ctr Mol Modeling, Technol Pk 903, BE-9052 Zwijnaarde, Belgium论文数: 引用数: h-index:机构:Gonze, Xavier论文数: 0 引用数: 0 h-index: 0机构: Catholic Univ Louvain, Inst Condensed Matter & Nanosci Nanoscop, Chemin Etoiles 8, BE-1348 Louvain, Belgium Univ Ghent, Ctr Mol Modeling, Technol Pk 903, BE-9052 Zwijnaarde, BelgiumGranaes, Oscar论文数: 0 引用数: 0 h-index: 0机构: Univ Udine, Dept Math Comp Sci & Phys, Via Sci 206, I-33100 Udine, Italy Harvard Univ, Sch Engn & Appl Sci, Cambridge, MA 02138 USA Univ Ghent, Ctr Mol Modeling, Technol Pk 903, BE-9052 Zwijnaarde, BelgiumGross, E. K. U.论文数: 0 引用数: 0 h-index: 0机构: Max Planck Inst Mikrostrukturphys, Weinberg 2, D-06120 Halle, Germany Univ Ghent, Ctr Mol Modeling, Technol Pk 903, BE-9052 Zwijnaarde, BelgiumGulans, Andris论文数: 0 引用数: 0 h-index: 0机构: Humboldt Univ, Inst Phys, Windkanal 6, D-12489 Berlin, Germany Humboldt Univ, IRIS, Windkanal 6, D-12489 Berlin, Germany Max Planck Gesell, Fritz Haber Inst, Faradayweg 4-6, D-14195 Berlin, Germany Univ Ghent, Ctr Mol Modeling, Technol Pk 903, BE-9052 Zwijnaarde, BelgiumGygi, Francois论文数: 0 引用数: 0 h-index: 0机构: Univ Calif Davis, Dept Comp Sci, Davis, CA 95616 USA Univ Ghent, Ctr Mol Modeling, Technol Pk 903, BE-9052 Zwijnaarde, BelgiumHamann, D. R.论文数: 0 引用数: 0 h-index: 0机构: Rutgers State Univ, Dept Phys, Piscataway, NJ 08854 USA Mat Sim Res, POB 742, Murray Hill, NJ 07974 USA Univ Ghent, Ctr Mol Modeling, Technol Pk 903, BE-9052 Zwijnaarde, BelgiumHasnip, Phil J.论文数: 0 引用数: 0 h-index: 0机构: Univ York, Dept Phys, York YO10 5DD, N Yorkshire, England Univ Ghent, Ctr Mol Modeling, Technol Pk 903, BE-9052 Zwijnaarde, BelgiumHolzwarth, N. A. W.论文数: 0 引用数: 0 h-index: 0机构: Wake Forest Univ, Dept Phys, Winston Salem, NC 27109 USA Univ Ghent, Ctr Mol Modeling, Technol Pk 903, BE-9052 Zwijnaarde, Belgium论文数: 引用数: h-index:机构:Jochym, Dominik B.论文数: 0 引用数: 0 h-index: 0机构: Rutherford Appleton Lab, Sci & Technol Facil Council, Sci Comp Dept, Didcot OX11 0QX, Oxon, England Univ Ghent, Ctr Mol Modeling, Technol Pk 903, BE-9052 Zwijnaarde, BelgiumJollet, Francois论文数: 0 引用数: 0 h-index: 0机构: DIF, DAM, CEA, F-91297 Arpajon, France Univ Ghent, Ctr Mol Modeling, Technol Pk 903, BE-9052 Zwijnaarde, BelgiumJones, Daniel论文数: 0 引用数: 0 h-index: 0机构: Univ Oxford, Dept Mat, 16 Parks Rd, Oxford OX1 3PH, England Univ Ghent, Ctr Mol Modeling, Technol Pk 903, BE-9052 Zwijnaarde, Belgium论文数: 引用数: h-index:机构:Koepernik, Klaus论文数: 0 引用数: 0 h-index: 0机构: Leibniz Inst Festkorper & Werkstoffforsch IFW Dre, POB 270 116, D-01171 Dresden, Germany Tech Univ Dresden, Dresden Ctr Computat Mat Sci DCMS, D-01069 Dresden, Germany Univ Ghent, Ctr Mol Modeling, Technol Pk 903, BE-9052 Zwijnaarde, BelgiumKuecuekbenli, Emine论文数: 0 引用数: 0 h-index: 0机构: Ecole Polytech Fed Lausanne, Theory & Simulat Mat THEOS, CH-1015 Lausanne, Switzerland Ecole Polytech Fed Lausanne, Natl Ctr Computat Design & Discovery Novel Mat MA, CH-1015 Lausanne, Switzerland SISSA, Via Bonomea 265, I-34136 Trieste, Italy Univ Ghent, Ctr Mol Modeling, Technol Pk 903, BE-9052 Zwijnaarde, BelgiumKvashnin, Yaroslav O.论文数: 0 引用数: 0 h-index: 0机构: Uppsala Univ, Div Mat Theory, Dept Phys & Astron, POB 516, SE-75120 Uppsala, Sweden Univ Ghent, Ctr Mol Modeling, Technol Pk 903, BE-9052 Zwijnaarde, BelgiumLocht, Inka L. M.论文数: 0 引用数: 0 h-index: 0机构: Uppsala Univ, Div Mat Theory, Dept Phys & Astron, POB 516, SE-75120 Uppsala, Sweden Radboud Univ Nijmegen, Inst Mol & Mat, Heyendaalseweg 135, NL-6525 AJ Nijmegen, Netherlands Univ Ghent, Ctr Mol Modeling, Technol Pk 903, BE-9052 Zwijnaarde, BelgiumLubeck, Sven论文数: 0 引用数: 0 h-index: 0机构: Humboldt Univ, Inst Phys, Windkanal 6, D-12489 Berlin, Germany Humboldt Univ, IRIS, Windkanal 6, D-12489 Berlin, Germany Univ Ghent, Ctr Mol Modeling, Technol Pk 903, BE-9052 Zwijnaarde, BelgiumMarsman, Martijn论文数: 0 引用数: 0 h-index: 0机构: Univ Vienna, Fac Phys, Sensengasse 8-12, A-1090 Vienna, Austria Univ Vienna, Ctr Computat Mat Sci, Sensengasse 8-12, A-1090 Vienna, Austria Univ Ghent, Ctr Mol Modeling, Technol Pk 903, BE-9052 Zwijnaarde, BelgiumMarzari, Nicola论文数: 0 引用数: 0 h-index: 0机构: Ecole Polytech Fed Lausanne, Theory & Simulat Mat THEOS, CH-1015 Lausanne, Switzerland Ecole Polytech Fed Lausanne, Natl Ctr Computat Design & Discovery Novel Mat MA, CH-1015 Lausanne, Switzerland Univ Ghent, Ctr Mol Modeling, Technol Pk 903, BE-9052 Zwijnaarde, BelgiumNitzsche, Ulrike论文数: 0 引用数: 0 h-index: 0机构: Leibniz Inst Festkorper & Werkstoffforsch IFW Dre, POB 270 116, D-01171 Dresden, Germany Univ Ghent, Ctr Mol Modeling, Technol Pk 903, BE-9052 Zwijnaarde, BelgiumNordstrom, Lars论文数: 0 引用数: 0 h-index: 0机构: Uppsala Univ, Div Mat Theory, Dept Phys & Astron, POB 516, SE-75120 Uppsala, Sweden Univ Ghent, Ctr Mol Modeling, Technol Pk 903, BE-9052 Zwijnaarde, BelgiumOzaki, Taisuke论文数: 0 引用数: 0 h-index: 0机构: Univ Tokyo, Inst Solid State Phys, Kashiwa, Chiba 2778581, Japan Univ Ghent, Ctr Mol Modeling, Technol Pk 903, BE-9052 Zwijnaarde, BelgiumPaulatto, Lorenzo论文数: 0 引用数: 0 h-index: 0机构: Univ Paris 06, IMPMC, CNRS, UMR 7590,Museum Natl Hist Nat,IRD,Unite Rech 206, 4 Pl Jussieu, F-75005 Paris, France Univ Ghent, Ctr Mol Modeling, Technol Pk 903, BE-9052 Zwijnaarde, BelgiumPickard, Chris J.论文数: 0 引用数: 0 h-index: 0机构: Univ Cambridge, Dept Mat Sci & Met, 27 Charles Babbage Rd, Cambridge CB3 0FS, England Univ Ghent, Ctr Mol Modeling, Technol Pk 903, BE-9052 Zwijnaarde, BelgiumPoelmans, Ward论文数: 0 引用数: 0 h-index: 0机构: Univ Ghent, Ctr Mol Modeling, Technol Pk 903, BE-9052 Zwijnaarde, Belgium Univ Ghent, High Performance Comp Unit, Krijgslaan 281 S9, BE-9000 Ghent, Belgium Univ Ghent, Ctr Mol Modeling, Technol Pk 903, BE-9052 Zwijnaarde, BelgiumProbert, Matt I. 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- [46] Density functional theory calculations for mercury fulminateJOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 2004, 712 (1-3): : 139 - 142Türker, L论文数: 0 引用数: 0 h-index: 0机构: Middle E Tech Univ, Dept Phys, TR-06531 Ankara, TurkeyErkoç, S论文数: 0 引用数: 0 h-index: 0机构: Middle E Tech Univ, Dept Phys, TR-06531 Ankara, Turkey
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