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The CP2K Program Package Made Simple Iannuzzi, Marcella; Wilhelm, Jan; Stein, Frederick; Bussy, Augustin; Elgabarty, Hossam; Golze, Dorothea; Hehn, Anna-Sophia; Graml, Maximilian; Marek, Stepan; Goekmen, Beliz Sertcan; Schran, Christoph; Forbert, Harald; Khaliullin, Rustam Z.; Kozhevnikov, Anton; Taillefumier, Mathieu; Meli, Rocco; Rybkin, Vladimir V.; Brehm, Martin; Schade, Robert; Schutt, Ole; Pototschnig, Johann V.; Mirhosseini, Hossein; Knuepfer, Andreas; Marx, Dominik; Krack, Matthias; Hutter, Jurg; Kuehne, Thomas D. 分享 收藏
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Proximity-Driven Magnetic Coupling between an Open-Shell Nanographene and a Rare-Earth Surface Alloy 近场驱动的磁性耦合:一个开壳层纳米石墨烯与稀土表面合金之间 Bassi, Nicolo; Wilhelm, Jan; Krane, Nils; Xiang, Feifei; Cmelova, Patricia; Turco, Elia; Gargiani, Pierluigi; Pignedoli, Carlo A.; Juricek, Michal; Fasel, Roman; Korytar, Richard; Ruffieux, Pascal 分享 收藏
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Growth Optimization and Device Integration of Narrow-Bandgap Graphene Nanoribbons 窄带隙石墨烯纳米带的生长优化及器件集成 Barin, Gabriela Borin; Sun, Qiang; Di Giovannantonio, Marco; Du, Cheng-Zhuo; Wang, Xiao-Ye; Llinas, Juan Pablo; Mutlu, Zafer; Lin, Yuxuan; Wilhelm, Jan; Overbeck, Jan; Daniels, Colin; Lamparski, Michael; Sahabudeen, Hafeesudeen; Perrin, Mickael L.; Urgel, Jose, I; Mishra, Shantanu; Kinikar, Amogh; Widmer, Roland; Stolz, Samuel; Bommert, Max; Pignedoli, Carlo; Feng, Xinliang; Calame, Michel; Muellen, Klaus; Narita, Akimitsu; Meunier, Vincent; Bokor, Jeffrey; Fasel, Roman; Ruffieux, Pascal 分享 收藏
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CP2K: An electronic structure and molecular dynamics software package - Quickstep: Efficient and accurate electronic structure calculations CP2K: 电子结构和分子动力学软件包-Quickstep: 高效准确的电子结构计算 Kuehne, Thomas D.; Iannuzzi, Marcella; Del Ben, Mauro; Rybkin, Vladimir V.; Seewald, Patrick; Stein, Frederick; Laino, Teodoro; Khaliullin, Rustam Z.; Schutt, Ole; Schiffmann, Florian; Golze, Dorothea; Wilhelm, Jan; Chulkov, Sergey; Bani-Hashemian, Mohammad Hossein; Weber, Valery; Borstnik, Urban; Taillefumier, Mathieu; Jakobovits, Alice Shoshana; Lazzaro, Alfio; Pabst, Hans; Mueller, Tiziano; Schade, Robert; Guidon, Manuel; Andermatt, Samuel; Holmberg, Nico; Schenter, Gregory K.; Hehn, Anna; Bussy, Augustin; Belleflamme, Fabian; Tabacchi, Gloria; Gloss, Andreas; Lass, Michael; Bethune, Iain; Mundy, Christopher J.; Plessl, Christian; Watkins, Matt; VandeVondele, Joost; Krack, Matthias; Hutter, Jurg 分享 收藏
Graphene Nanoribbons Derived from Zigzag Edge-Encased Poly(para-2,9-dibenzo[bc,kl]coronenylene) Polymer Chains (vol 141, pg 2843, 2019) Beyer, Doreen; Wang, Shiyong; Pignedoli, Carlo A.; Melidonie, Jason; Yuan, Bingkai; Li, Can; Wilhelm, Jan; Ruffieux, Pascal; Berger, Reinhard; Mullen, Klaus; Fasel, Roman; Feng, Xinliang 分享 收藏
On-surface light-induced generation of higher acenes and elucidation of their open-shell character Urgel, Jose, I; Mishra, Shantanu; Hayashi, Hironobu; Wilhelm, Jan; Pignedoli, Carlo A.; Di Giovannantonio, Marco; Widmer, Roland; Yamashita, Masataka; Hieda, Nao; Ruffieux, Pascal; Yamada, Hiroko; Faseih, Roman 分享 收藏