Hasil Pencarian - Stephan Irle

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  1. 1
    Artificial neural network potentials for mechanics and fracture dynamics of two-dimensional crystals

    Artificial neural network potentials for mechanics and fracture dynamics of two-dimensional crystals oleh Gang Seob Jung, Hunjoo Myung, Stephan Irle

    Diterbitkan 2023-01-01
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  2. 2
    Two excited-state datasets for quantum chemical UV-vis spectra of organic molecules

    Two excited-state datasets for quantum chemical UV-vis spectra of organic molecules oleh Massimiliano Lupo Pasini, Kshitij Mehta, Pilsun Yoo, Stephan Irle

    Diterbitkan 2023-08-01
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  3. 3
    Performance of Density-Functional Tight-Binding in Comparison to Ab Initio and First-Principles Methods for Isomer Geometries and Energies of Glucose Epimers in Vacuo and Solution

    Performance of Density-Functional Tight-Binding in Comparison to Ab Initio and First-Principles Methods for Isomer Geometries and Energies of Glucose Epimers in Vacuo and Solution oleh Ka Hung Lee, Udo Schnupf, Bobby G. Sumpter, Stephan Irle

    Diterbitkan 2018-12-01
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  4. 4
    Development of Density-Functional Tight-Binding Parameters for the Molecular Dynamics Simulation of Zirconia, Yttria, and Yttria-Stabilized Zirconia

    Development of Density-Functional Tight-Binding Parameters for the Molecular Dynamics Simulation of Zirconia, Yttria, and Yttria-Stabilized Zirconia oleh Aulia Sukma Hutama, Lala Adetia Marlina, Chien-Pin Chou, Stephan Irle, Thomas S. Hofer

    Diterbitkan 2021-07-01
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  5. 5
    Deep learning workflow for the inverse design of molecules with specific optoelectronic properties

    Deep learning workflow for the inverse design of molecules with specific optoelectronic properties oleh Pilsun Yoo, Debsindhu Bhowmik, Kshitij Mehta, Pei Zhang, Frank Liu, Massimiliano Lupo Pasini, Stephan Irle

    Diterbitkan 2023-11-01
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  6. 6
    Adaptive language model training for molecular design

    Adaptive language model training for molecular design oleh Andrew E. Blanchard, Debsindhu Bhowmik, Zachary Fox, John Gounley, Jens Glaser, Belinda S. Akpa, Stephan Irle

    Diterbitkan 2023-06-01
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  7. 7
    Cryptic bioactivity capacitated by synthetic hybrid plant peptides

    Cryptic bioactivity capacitated by synthetic hybrid plant peptides oleh Yuki Hirakawa, Hidefumi Shinohara, Kai Welke, Stephan Irle, Yoshikatsu Matsubayashi, Keiko U. Torii, Naoyuki Uchida

    Diterbitkan 2017-02-01
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  8. 8
    Water-mediated deracemization of a bisporphyrin helicate assisted by diastereoselective encapsulation of chiral guests

    Water-mediated deracemization of a bisporphyrin helicate assisted by diastereoselective encapsulation of chiral guests oleh Naoki Ousaka, Shinya Yamamoto, Hiroki Iida, Takuya Iwata, Shingo Ito, Yuh Hijikata, Stephan Irle, Eiji Yashima

    Diterbitkan 2019-03-01
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  9. 9
    Light-melt adhesive based on dynamic carbon frameworks in a columnar liquid-crystal phase

    Light-melt adhesive based on dynamic carbon frameworks in a columnar liquid-crystal phase oleh Shohei Saito, Shunpei Nobusue, Eri Tsuzaka, Chunxue Yuan, Chigusa Mori, Mitsuo Hara, Takahiro Seki, Cristopher Camacho, Stephan Irle, Shigehiro Yamaguchi

    Diterbitkan 2016-07-01
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  10. 10
    Stacked antiaromatic porphyrins

    Stacked antiaromatic porphyrins oleh Ryo Nozawa, Hiroko Tanaka, Won-Young Cha, Yongseok Hong, Ichiro Hisaki, Soji Shimizu, Ji-Young Shin, Tim Kowalczyk, Stephan Irle, Dongho Kim, Hiroshi Shinokubo

    Diterbitkan 2016-11-01
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  11. 11
    Structural and functional characterization of NEMO cleavage by SARS-CoV-2 3CLpro

    Structural and functional characterization of NEMO cleavage by SARS-CoV-2 3CLpro oleh Mikhail A. Hameedi, Erica T. Prates, Michael R. Garvin, Irimpan I. Mathews, B. Kirtley Amos, Omar Demerdash, Mark Bechthold, Mamta Iyer, Simin Rahighi, Daniel W. Kneller, Andrey Kovalevsky, Stephan Irle, Van-Quan Vuong, Julie C. Mitchell, Audrey Labbe, Stephanie Galanie, Soichi Wakatsuki, Daniel Jacobson

    Diterbitkan 2022-09-01
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