未登录 分享 收藏
分享 收藏
Closed-to-open-shell ground state photoswitching of thienyl-based acylhydrazones 基于噻吩的酰腙类化合物的闭壳体-开壳体基态光切换 Setek, Martin; Guerra, Valentino L. P.; Robson, Harry; Geleverya, Anna O.; Maxa, Ondrej; Lamancova, Anna; Eigner, Vaclav; Nachtigallova, Dana; Tarabek, Jan; Kovaricek, Petr 分享 收藏
Controlling On-Surface Photoactivity: The Impact of π-Conjugation in Anhydride-Functionalized Molecules on a Semiconductor Surface Frezza, Federico; Sanchez-Grande, Ana; Canola, Sofia; Lamancova, Anna; Mutombo, Pingo; Chen, Qifan; Waeckerlin, Christian; Ernst, Karl-Heinz; Muntwiler, Matthias; Zema, Nicola; Di Giovannantonio, Marco; Nachtigallova, Dana; Jelinek, Pavel 分享 收藏
The Stability of Hydrogen-Bonded Ion-Pair Complex Unexpectedly Increases with Increasing Solvent Polarity 氢键离子对配合物的稳定性随溶剂极性的增加而意外增加 Manna, Debashree; Lo, Rabindranath; Vacek, Jaroslav; Miriyala, Vijay Madhav; Bour, Petr; Wu, Tao; Osifova, Zuzana; Nachtigallova, Dana; Dracinsky, Martin; Hobza, Pavel 分享 收藏
The effect of water on gold supported chiral graphene nanoribbons: rupture of conjugation by an alternating hydrogenation pattern Berdonces-Layunta, Alejandro; Matej, Adam; Jimenez-Martin, Alejandro; Lawrence, James; Mohammed, Mohammed S. G.; Wang, Tao; Mallada, Benjamin; de la Torre, Bruno; Martinez, Adrian; Vilas-Varela, Manuel; Nieman, Reed; Lischka, Hans; Nachtigallova, Dana; Pena, Diego; Jelinek, Pavel; de Oteyza, Dimas G. 分享 收藏
分享 收藏
分享 收藏
分享 收藏
The stability of covalent dative bond significantly increases with increasing solvent polarity Lo, Rabindranath; Manna, Debashree; Lamanec, Maximilian; Dracinsky, Martin; Bour, Petr; Wu, Tao; Bastien, Guillaume; Kaleta, Jiri; Miriyala, Vijay Madhav; Spirko, Vladimir; Masinova, Anna; Nachtigallova, Dana; Hobza, Pavel 分享 收藏
On-Surface Strain-Driven Synthesis of Nonalternant Non-Benzenoid Aromatic Compounds Containing Four- to Eight-Membered Rings Mallada, Benjamin; de la Torre, Bruno; Mendieta-Moreno, Jesus, I; Nachtigallova, Dana; Matej, Adam; Matousek, Mikulas; Mutombo, Pingo; Brabec, Jiri; Veis, Libor; Cadart, Timothee; Kotora, Martin; Jelinek, Pavel 分享 收藏
Addition Reaction between Piperidine and C60 to Form 1,4-Disubstituted C60 Proceeds through van der Waals and Dative Bond Complexes: Theoretical and Experimental Study Lo, Rabindranath; Manna, Debashree; Lamanec, Maximilian; Wang, Weizhou; Bakandritsos, Aristides; Dracinsky, Martin; Zboril, Radek; Nachtigallova, Dana; Hobza, Pavel 分享 收藏
分享 收藏
分享 收藏
On-Surface Hydrogenation of Buckybowls: From Curved Aromatic Molecules to Planar Non-Kekule Aromatic Hydrocarbons Wackerlin, Christian; Gallardo, Aurelio; Mairena, Anais; Baljozovic, Milos; Cahlik, Ales; Antalik, Andrej; Brabec, Jiri; Veis, Libor; Nachtigallova, Dana; Jelinek, Pavel; Ernst, Karl-Heinz 分享 收藏
分享 收藏
分享 收藏
The generality of the GUGA MRCI approach in COLUMBUS for treating complex quantum chemistry Lischka, Hans; Shepard, Ron; Mueller, Thomas; Szalay, Peter G.; Pitzer, Russell M.; Aquino, Adelia J. A.; Araujo do Nascimento, Mayzza M.; Barbatti, Mario; Belcher, Lachlan T.; Blaudeau, Jean-Philippe; Borges, Itamer; Brozell, Scott R.; Carter, Emily A.; Das, Anita; Gidofalvi, Gergely; Gonzalez, Leticia; Hase, William L.; Kedziora, Gary; Kertesz, Miklos; Kossoski, Fabris; Machado, Francisco B. C.; Matsika, Spiridoula; do Monte, Silmar A.; Nachtigallova, Dana; Nieman, Reed; Oppel, Markus; Parish, Carol A.; Plasser, Felix; Spada, Rene F. K.; Stahlberg, Eric A.; Ventura, Elizete; Yarkony, David R.; Zhang, Zhiyong 分享 收藏
分享 收藏
An Isolated Molecule of Iron(II) Phthalocyanin Exhibits Quintet Ground-State: A Nexus between Theory and Experiment (vol 12, pg 24, 2018) Nachtigallova, D.; Antalik, A.; Lo, R.; Sedlak, R.; Manna, D.; Tucek, J.; Ugolotti, J.; Veis, L.; Legeza, O.; Pittner, J.; Zboril, R.; Hobza, P. 分享 收藏
.png){kind=icon}
未登录.png){kind=icon}
.png){kind=icon}
.png){kind=icon}
.png){kind=icon}
.png){kind=icon}
