检索结果 - Irle, Stephan

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

获取全文 获取全文 获取全文

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

获取全文 获取全文 获取全文

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

获取全文 获取全文 获取全文

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

获取全文 获取全文 获取全文

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

获取全文 获取全文 获取全文

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

获取全文 获取全文 获取全文

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

获取全文 获取全文 获取全文

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

获取全文 获取全文 获取全文

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

获取全文 获取全文 获取全文

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

获取全文 获取全文 获取全文

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

获取全文 获取全文 获取全文

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

获取全文 获取全文 获取全文

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

获取全文 获取全文 获取全文

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

获取全文 获取全文 获取全文

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

获取全文 获取全文 获取全文

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

获取全文 获取全文 获取全文

Design of tough adhesive from commodity thermoplastics through dynamic crosslinking 由 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

获取全文 获取全文 获取全文

Focus-Induced Photoresponse: a novel way to measure distances with photodetectors 由 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

获取全文 获取全文 获取全文

Conjugated organic framework with three-dimensionally ordered stable structure and delocalized π clouds 由 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

获取全文 获取全文 获取全文

Structural and functional characterization of NEMO cleavage by SARS-CoV-2 3CLpro 由 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

获取全文 获取全文 获取全文