Search Results - Irle, Stephan

Simulations of the synthesis of boron-nitride nanostructures in a hot, high pressure gas volume by Krstic, Predrag S., Han, Longtao, Irle, Stephan, Nakai, Hiromi

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Self-assembly of endohedral metallofullerenes: a decisive role of cooling gas and metal–carbon bonding by Deng, Qingming, Heine, Thomas, Irle, Stephan, Popov, Alexey A.

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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 by Lee, Ka Hung, Schnupf, Udo, Sumpter, Bobby G., Irle, Stephan

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

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Development of Small-Molecule Cryptochrome Stabilizer Derivatives as Modulators of the Circadian Clock by Lee, Jae Wook, Hirota, Tsuyoshi, Kumar, Anupriya, Kim, Nam-Jung, Irle, Stephan, Kay, Steve A

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

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

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Molecular Simulation of Water and Hydration Effects in Different Environments: Challenges and Developments for DFTB Based Models by Goyal, Puja, Qian, Hu-Jun, Irle, Stephan, Lu, Xiya, Roston, Daniel, Mori, Toshifumi, Elstner, Marcus, Cui, Qiang

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Density-functional tight-binding for phosphine-stabilized nanoscale gold clusters by Vuong, Van Quan, Madridejos, Jenica Marie L., Aradi, Bálint, Sumpter, Bobby G., Metha, Gregory F., Irle, Stephan

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Rational design of crystalline supermicroporous covalent organic frameworks with triangular topologies by Dalapati, Sasanka, Addicoat, Matthew, Jin, Shangbin, Sakurai, Tsuneaki, Gao, Jia, Xu, Hong, Irle, Stephan, Seki, Shu, Jiang, Donglin

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Two-dimensional artificial light-harvesting antennae with predesigned high-order structure and robust photosensitising activity by Feng, Xiao, Ding, Xuesong, Chen, Long, Wu, Yang, Liu, Lili, Addicoat, Matthew, Irle, Stephan, Dong, Yuping, Jiang, Donglin

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Cycloparaphenylene as a molecular porous carbon solid with uniform pores exhibiting adsorption-induced softness by Sakamoto, Hirotoshi, Fujimori, Toshihiko, Li, Xiaolin, Kaneko, Katsumi, Kan, Kai, Ozaki, Noriaki, Hijikata, Yuh, Irle, Stephan, Itami, Kenichiro

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Growth of carbon nanotubes via twisted graphene nanoribbons by Lim, Hong En, Miyata, Yasumitsu, Kitaura, Ryo, Nishimura, Yoshifumi, Nishimoto, Yoshio, Irle, Stephan, Warner, Jamie H., Kataura, Hiromichi, Shinohara, Hisanori

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

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Near infrared two-photon-excited and -emissive dyes based on a strapped excited-state intramolecular proton-transfer (ESIPT) scaffold by Suzuki, Naoya, Suda, Kayo, Yokogawa, Daisuke, Kitoh-Nishioka, Hirotaka, Irle, Stephan, Ando, Akihiro, Abegão, Luis M. G., Kamada, Kenji, Fukazawa, Aiko, Yamaguchi, Shigehiro

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

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Design of tough adhesive from commodity thermoplastics through dynamic crosslinking by Rahman, Md Anisur, Bowland, Christopher, Ge, Sirui, Acharya, Shree Ram, Kim, Sungjin, Cooper, Valentino R., Chen, X. Chelsea, Irle, Stephan, Sokolov, Alexei P., Savara, Aditya, Saito, Tomonori

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Focus-Induced Photoresponse: a novel way to measure distances with photodetectors by Pekkola, Oili, Lungenschmied, Christoph, Fejes, Peter, Handreck, Anke, Hermes, Wilfried, Irle, Stephan, Lennartz, Christian, Schildknecht, Christian, Schillen, Peter, Schindler, Patrick, Send, Robert, Valouch, Sebastian, Thiel, Erwin, Bruder, Ingmar

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Conjugated organic framework with three-dimensionally ordered stable structure and delocalized π clouds by Guo, Jia, Xu, Yanhong, Jin, Shangbin, Chen, Long, Kaji, Toshihiko, Honsho, Yoshihito, Addicoat, Matthew A., Kim, Jangbae, Saeki, Akinori, Ihee, Hyotcherl, Seki, Shu, Irle, Stephan, Hiramoto, Masahiro, Gao, Jia, Jiang, Donglin

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

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