Result Number | Material Type | Add to My Shelf Action | Record Details and Options |
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1 |
Material Type: Artigo
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CO Oxidation on Inverse CeOx/Cu(111) Catalysts: High Catalytic Activity and Ceria-Promoted Dissociation of O2F Yang ; J Graciani ; J Evans ; P Liu ; J Hrbek ; J Fdez. Sanz ; J RodriguezJournal of the American Chemical Society, 2011-12, Vol.133 (10) [Periódico revisado por pares]United StatesTexto completo disponível |
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2 |
Material Type: Artigo
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Gold, Copper, and Platinum Nanoparticles Dispersed on CeOx/TiO2(110) Surfaces: High Water-Gas Shift Activity and the Nature of the Mixed-Metal Oxide at the Nanometer LevelPark, J. ; Graciani, J ; Evans, J ; Stacchiola, D ; Senanayake, S ; Barrio, L ; Liu, P ; Fdez. Sanz, J ; Hrbek, J ; Rodriguez, JJournal of the American Chemical Society, 2010-01, Vol.132 (1) [Periódico revisado por pares]United StatesTexto completo disponível |
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3 |
Material Type: Artigo
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Chemi- and Bioluminescence of Cyclic PeroxidesVacher, Morgane ; Fdez. Galván, Ignacio ; Ding, Bo-Wen ; Schramm, Stefan ; Berraud-Pache, Romain ; Naumov, Panče ; Ferré, Nicolas ; Liu, Ya-Jun ; Navizet, Isabelle ; Roca-Sanjuán, Daniel ; Baader, Wilhelm J ; Lindh, RolandChemical reviews, 2018-08, Vol.118 (15), p.6927-6974 [Periódico revisado por pares]United States: American Chemical SocietyTexto completo disponível |
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4 |
Material Type: Artigo
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Impact of Excited-State Antiaromaticity Relief in a Fundamental Benzene Photoreaction Leading to Substituted Bicyclo[3.1.0]hexenesSlanina, Tomáš ; Ayub, Rabia ; Toldo, Josene ; Sundell, Johan ; Rabten, Wangchuk ; Nicaso, Marco ; Alabugin, Igor ; Fdez. Galván, Ignacio ; Gupta, Arvind K ; Lindh, Roland ; Orthaber, Andreas ; Lewis, Richard J ; Grönberg, Gunnar ; Bergman, Joakim ; Ottosson, HenrikJournal of the American Chemical Society, 2020-06, Vol.142 (25), p.10942-10954 [Periódico revisado por pares]United States: American Chemical SocietyTexto completo disponível |
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5 |
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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6 |
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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7 |
Material Type: Artigo
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Minimum-Energy Conical Intersections by Compressed Multistate Pair-Density Functional TheoryCalio, Paul B. ; Hermes, Matthew R. ; Bao, Jie J. ; Galván, Ignacio Fdez ; Lindh, Roland ; Truhlar, Donald G. ; Gagliardi, LauraThe journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2024-03, Vol.128 (9), p.1698-1706 [Periódico revisado por pares]United States: American Chemical SocietyTexto completo disponível |
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8 |
Material Type: Artigo
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High Water−Gas Shift Activity in TiO2(110) Supported Cu and Au Nanoparticles: Role of the Oxide and Metal Particle SizeRodríguez, José A ; Evans, Jaime ; Graciani, Jesús ; Park, Joon-Bum ; Liu, Ping ; Hrbek, Jan ; Sanz, Javier FdezJournal of physical chemistry. C, 2009-04, Vol.113 (17), p.7364-7370 [Periódico revisado por pares]United States: American Chemical SocietyTexto completo disponível |
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9 |
Material Type: Artigo
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Inhibition of the Hydrolytic Phase in the Production of Biohydrogen by Dark Fermentation of Organic Solid WasteAngeriz-Campoy, R ; Fdez-Güelfo, L. A ; Álvarez-Gallego, C. J ; Romero-García, L. IEnergy & fuels, 2017-07, Vol.31 (7), p.7176-7184 [Periódico revisado por pares]American Chemical SocietyTexto completo disponível |
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10 |
Material Type: Artigo
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Substituent and Solvent Effects on the UV–vis Absorption Spectrum of the Photoactive Yellow Protein ChromophoreGarcía-Prieto, F. Fernández ; Aguilar, M. A ; Galván, I. Fdez ; Muñoz-Losa, A ; Olivares del Valle, F. J ; Sánchez, M. L ; Martín, M. EThe journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2015-05, Vol.119 (21), p.5504-5514 [Periódico revisado por pares]United States: American Chemical SocietyTexto completo disponível |