Result Number | Material Type | Add to My Shelf Action | Record Details and Options |
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11 |
Material Type: Artigo
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OpenMolcas: From Source Code to InsightFdez. Galván, Ignacio ; Vacher, Morgane ; Alavi, Ali ; Angeli, Celestino ; Aquilante, Francesco ; Autschbach, Jochen ; Bao, Jie J ; Bokarev, Sergey I ; Bogdanov, Nikolay A ; Carlson, Rebecca K ; Chibotaru, Liviu F ; Creutzberg, Joel ; Dattani, Nike ; Delcey, Mickaël G ; Dong, Sijia S ; Dreuw, Andreas ; Freitag, Leon ; Frutos, Luis Manuel ; Gagliardi, Laura ; Gendron, Frédéric ; Giussani, Angelo ; González, Leticia ; Grell, Gilbert ; Guo, Meiyuan ; Hoyer, Chad E ; Johansson, Marcus ; Keller, Sebastian ; Knecht, Stefan ; Kovačević, Goran ; Källman, Erik ; Li Manni, Giovanni ; Lundberg, Marcus ; Ma, Yingjin ; Mai, Sebastian ; Malhado, João Pedro ; Malmqvist, Per Åke ; Marquetand, Philipp ; Mewes, Stefanie A ; Norell, Jesper ; Olivucci, Massimo ; Oppel, Markus ; Phung, Quan Manh ; Pierloot, Kristine ; Plasser, Felix ; Reiher, Markus ; Sand, Andrew M ; Schapiro, Igor ; Sharma, Prachi ; Stein, Christopher J ; Sørensen, Lasse Kragh ; Truhlar, Donald G ; Ugandi, Mihkel ; Ungur, Liviu ; Valentini, Alessio ; Vancoillie, Steven ; Veryazov, Valera ; Weser, Oskar ; Wesołowski, Tomasz A ; Widmark, Per-Olof ; Wouters, Sebastian ; Zech, Alexander ; Zobel, J. Patrick ; Lindh, RolandJournal of chemical theory and computation, 2019-11, Vol.15 (11), p.5925-5964 [Periódico revisado por pares]United States: American Chemical SocietyTexto completo disponível |
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12 |
Material Type: Artigo
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Modulating electron density of vacancy site by single Au atom for effective CO2 photoreductionCao, Yuehan ; Guo, Lan ; Dan, Meng ; Doronkin, Dmitry E. ; Han, Chunqiu ; Rao, Zhiqiang ; Liu, Yang ; Meng, Jie ; Huang, Zeai ; Zheng, Kaibo ; Chen, Peng ; Dong, Fan ; Zhou, YingNature communications, 2021-03, Vol.12 (1), p.1-10, Article 1675 [Periódico revisado por pares]London: Nature Publishing GroupTexto completo disponível |
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13 |
Material Type: Artigo
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Molcas 8: New capabilities for multiconfigurational quantum chemical calculations across the periodic tableAquilante, Francesco ; Autschbach, Jochen ; Carlson, Rebecca K. ; Chibotaru, Liviu F. ; Delcey, Mickaël G. ; De Vico, Luca ; Fdez. Galván, Ignacio ; Ferré, Nicolas ; Frutos, Luis Manuel ; Gagliardi, Laura ; Garavelli, Marco ; Giussani, Angelo ; Hoyer, Chad E. ; Li Manni, Giovanni ; Lischka, Hans ; Ma, Dongxia ; Malmqvist, Per Åke ; Müller, Thomas ; Nenov, Artur ; Olivucci, Massimo ; Pedersen, Thomas Bondo ; Peng, Daoling ; Plasser, Felix ; Pritchard, Ben ; Reiher, Markus ; Rivalta, Ivan ; Schapiro, Igor ; Segarra-Martí, Javier ; Stenrup, Michael ; Truhlar, Donald G. ; Ungur, Liviu ; Valentini, Alessio ; Vancoillie, Steven ; Veryazov, Valera ; Vysotskiy, Victor P. ; Weingart, Oliver ; Zapata, Felipe ; Lindh, RolandJournal of computational chemistry, 2016-02, Vol.37 (5), p.506-541 [Periódico revisado por pares]United States: Blackwell Publishing LtdTexto completo disponível |
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14 |
Material Type: Artigo
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The OpenMolcas Web: A Community-Driven Approach to Advancing Computational ChemistryLi Manni, Giovanni ; Fdez. Galván, Ignacio ; Alavi, Ali ; Aleotti, Flavia ; Aquilante, Francesco ; Autschbach, Jochen ; Avagliano, Davide ; Baiardi, Alberto ; Bao, Jie J. ; Battaglia, Stefano ; Birnoschi, Letitia ; Blanco-González, Alejandro ; Broer, Ria ; Cacciari, Roberto ; Calio, Paul B. ; Carlson, Rebecca K. ; Carvalho Couto, Rafael ; Cerdán, Luis ; Chibotaru, Liviu F. ; Chilton, Nicholas F. ; Church, Jonathan Richard ; Conti, Irene ; Coriani, Sonia ; Cuéllar-Zuquin, Juliana ; Daoud, Razan E. ; Dattani, Nike ; Decleva, Piero ; de Graaf, Coen ; De Vico, Luca ; Dobrautz, Werner ; Dong, Sijia S. ; Feng, Rulin ; Ferré, Nicolas ; Filatov(Gulak), Michael ; Gagliardi, Laura ; Garavelli, Marco ; González, Leticia ; Guan, Yafu ; Guo, Meiyuan ; Hennefarth, Matthew R. ; Hermes, Matthew R. ; Hoyer, Chad E. ; Huix-Rotllant, Miquel ; Jaiswal, Vishal Kumar ; Kaiser, Andy ; Kaliakin, Danil S. ; Khamesian, Marjan ; King, Daniel S. ; Kochetov, Vladislav ; Krośnicki, Marek ; Kumaar, Arpit Arun ; Larsson, Ernst D. ; Lehtola, Susi ; Lepetit, Marie-Bernadette ; Lischka, Hans ; Lundberg, Marcus ; Ma, Dongxia ; Mai, Sebastian ; Marquetand, Philipp ; Merritt, Isabella C. D. ; Montorsi, Francesco ; Mörchen, Maximilian ; Nenov, Artur ; Nguyen, Vu Ha Anh ; Nishimoto, Yoshio ; Olivucci, Massimo ; Padula, Daniele ; Pandharkar, Riddhish ; Phung, Quan Manh ; Plasser, Felix ; Raggi, Gerardo ; Rebolini, Elisa ; Reiher, Markus ; Roca-Sanjuán, Daniel ; Romig, Thies ; Safari, Arta Anushirwan ; Sánchez-Mansilla, Aitor ; Sand, Andrew M. ; Schapiro, Igor ; Segarra-Martí, Javier ; Segatta, Francesco ; Sergentu, Dumitru-Claudiu ; Sharma, Prachi ; Shepard, Ron ; Staab, Jakob K. ; Straatsma, Tjerk P. ; Sørensen, Lasse Kragh ; Tenorio, Bruno Nunes Cabral ; Truhlar, Donald G. ; Ungur, Liviu ; Vacher, Morgane ; Veryazov, Valera ; Voß, Torben Arne ; Weser, Oskar ; Wu, Dihua ; Yang, Xuchun ; Yarkony, David ; Zhou, Chen ; Zobel, J. Patrick ; Lindh, RolandJournal of chemical theory and computation, 2023-10, Vol.19 (20), p.6933-6991 [Periódico revisado por pares]United States: American Chemical SocietyTexto completo disponível |
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15 |
Material Type: Artigo
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Reversible oxygen migration and phase transitions in hafnia-based ferroelectric devicesNukala, Pavan ; Ahmadi, Majid ; Wei, Yingfen ; de Graaf, Sytze ; Stylianidis, Evgenios ; Chakrabortty, Tuhin ; Matzen, Sylvia ; Zandbergen, Henny W ; Björling, Alexander ; Mannix, Dan ; Carbone, Dina ; Kooi, Bart ; Noheda, BeatrizScience (American Association for the Advancement of Science), 2021-05, Vol.372 (6542), p.630-635 [Periódico revisado por pares]United States: The American Association for the Advancement of ScienceTexto completo disponível |
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16 |
Material Type: Artigo
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Characteristics of the Iodide/Triiodide Redox Mediator in Dye-Sensitized Solar CellsBoschloo, Gerrit ; Hagfeldt, AndersAccounts of chemical research, 2009-11, Vol.42 (11), p.1819-1826 [Periódico revisado por pares]United States: American Chemical SocietyTexto completo disponível |
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17 |
Material Type: Artigo
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Pressurized hot water extraction of bioactivesPlaza, Merichel ; Turner, CharlottaTrAC, Trends in analytical chemistry (Regular ed.), 2015-09, Vol.71, p.39-54 [Periódico revisado por pares]Elsevier B.VTexto completo disponível |
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18 |
Material Type: Artigo
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Activity-induced phase separation and self-assembly in mixtures of active and passive particlesStenhammar, Joakim ; Wittkowski, Raphael ; Marenduzzo, Davide ; Cates, Michael EPhysical review letters, 2015-01, Vol.114 (1), p.018301-018301, Article 018301 [Periódico revisado por pares]United StatesTexto completo disponível |
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19 |
Material Type: Artigo
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Low-Cost Molybdenum Carbide and Tungsten Carbide Counter Electrodes for Dye-Sensitized Solar CellsWu, Mingxing ; Lin, Xiao ; Hagfeldt, Anders ; Ma, TingliAngewandte Chemie (International ed.), 2011-04, Vol.50 (15), p.3520-3524 [Periódico revisado por pares]Weinheim: WILEY-VCH VerlagTexto completo disponível |
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20 |
Material Type: Artigo
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Modeling Microgels with a Controlled Structure across the Volume Phase TransitionNinarello, Andrea ; Crassous, Jérôme J ; Paloli, Divya ; Camerin, Fabrizio ; Gnan, Nicoletta ; Rovigatti, Lorenzo ; Schurtenberger, Peter ; Zaccarelli, EmanuelaMacromolecules, 2019-10, Vol.52 (20), p.7584-7592 [Periódico revisado por pares]American Chemical SocietyTexto completo disponível |