Communication: Exciton analysis in time-dependent density functional theory: How functionals shape excited-state characters von Mewes, Stefanie A, Plasser, Felix, Dreuw, Andreas

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Universal Exciton Size in Organic Polymers is Determined by Nonlocal Orbital Exchange in Time-Dependent Density Functional Theory von Mewes, Stefanie A, Plasser, Felix, Dreuw, Andreas

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Benchmarking Excited-State Calculations Using Exciton Properties von Mewes, Stefanie A, Plasser, Felix, Krylov, Anna, Dreuw, Andreas

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Density-based descriptors and exciton analyses for visualizing and understanding the electronic structure of excited states von Mewes, Stefanie A, Dreuw, Andreas

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Excitons in poly(para phenylene vinylene): a quantum-chemical perspective based on high-level ab initio calculations von Mewes, Stefanie A, Mewes, Jan-Michael, Dreuw, Andreas, Plasser, Felix

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Detailed Wave Function Analysis for Multireference Methods: Implementation in the Molcas Program Package and Applications to Tetracene von Plasser, Felix, Mewes, Stefanie A, Dreuw, Andreas, González, Leticia

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Electron–Hole Correlation as Unambiguous and Universal Classification for the Nature of Low-Lying ππ States of Nitrogen Heterocycles von Hoffmann, Marvin, Mewes, Stefanie A, Wieland, Sonja, Popp, Christoph, Dreuw, Andreas

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OpenMolcas: From Source Code to Insight von Fdez. 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, Roland

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Excitons in poly(para phenylene vinylene): a quantum-chemical perspective based on high-level ab initio calculationsElectronic supplementary information (ESI) available: Evaluation... von Mewes, Stefanie A, Mewes, Jan-Michael, Dreuw, Andreas, Plasser, Felix

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Excitons in poly(paraphenylene vinylene): a quantum-chemical perspective based on high-level ab initiocalculations von Mewes, Stefanie A, Mewes, Jan-Michael, Dreuw, Andreas, Plasser, Felix

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OpenMolcas: From Source Code to Insight von Galvan, Ignacio Fdez, 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, Mickael G, Dong, Sijia S, Dreuw, Andreas, Freitag, Leon, Manuel Frutos, Luis, Gagliardi, Laura, Gendron, Frederic, Giussani, Angelo, Gonzalez, Leticia, Grell, Gilbert, Guo, Meiyuan, Hoyer, Chad E, Johansson, Marcus, Keller, Sebastian, Knecht, Stefan, Kovacevic, Goran, Kallman, Erik, Li Manni, Giovanni, Lundberg, Marcus, Ma, Yingjin, Mai, Sebastian, Malhado, Joao Pedro, Malmqvist, Per Ake, Marquetand, Philipp, Mewes, Stefanie A, Norell, Jesper, Olivucci, Massimo, Oppel, Markus, Quan, Manh Phung, Pierloot, Kristine, Plasser, Felix, Reiher, Markus, Sand, Andrew M, Schapiro, Igor, Sharma, Prachi, Stein, Christopher J, Sorensen, Lasse Kragh, Truhlar, Donald G, Ugandi, Mihkel, Ungur, Liviu, Valentini, Alessio, Vancoillie, Steven, Veryazov, Valera, Weser, Oskar, Wesolowski, Tomasz A, Widmark, Per-Olof, Wouters, Sebastian, Zech, Alexander, Zobel, J. Patrick, Lindh, Roland

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Approaches to scaling up reproducibility in research organisations von Barker, Michelle, Chue Hong, Neil

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Anonymised survey data von Barker, Michelle, Chue Hong, Neil

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Framework for scaling up reproducibility practices in research organisations von Barker, Michelle, Chue Hong, Neil

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Universal exciton size in organic polymers is determined by nonlocal orbital exchange in time-dependent density functional theory von Stefanie A. Mewes, Felix Plasser, Andreas Dreuw

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Benchmarking excited-state calculations using exciton properties von Stefanie A. Mewes, Felix Plasser, Anna Krylov, Andreas Dreuw

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Detailed wave function analysis for multireference methods: Implementation in the molcas program package and applications to tetracene von Felix Plasser, Stefanie A. Mewes, Andreas Dreuw, Leticia Gonzalez

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OpenMolcas: From source code to insight von Ignacio Fernández Galván, Morgane Vacher, Ali Alavi, Celestino Angeli, Francesco Aquilante, Jochen Autschbach, Jie J Bao, Sergey I Bokarev, Nikolay A Bogdanov, Rebecca K Carlson, Liviu F Chibotaru, Joel Creutzberg, Nike Dattani, Mickaël G Delcey, Sijia S Dong, Andreas Dreuw, Leon Freitag, Luis Manuel Frutos, Laura Gagliardi, Frédéric Gendron, Angelo Giussani, Leticia Gonzalez, Gilbert Grell, Meiyuan Guo, Chad E Hoyer, Marcus Johansson, Sebastian Keller, Stefan Knecht, Goran Kovačević, Erik Källman, Giovanni Li Manni, Marcus Lundberg, Yingjin Ma, Sebastian Mai, João Pedro Malhado, Per Ake Malmqvist, Philipp Marquetand, Stefanie A Mewes, Jesper Norell, Massimo Olivucci, Markus Oppel, Quan Manh Phung, Kristin Pierloot, Felix Plasser, Markus Reiher, Andrew M Sand, Igor Schapiro, Prachi Sharma, Christopher J Stein, Lasse Kragh Sørensen, Donald G Truhlar, Mihkel Ugandi, Liviu Ungur, Alessio Valentini, Steven Vancoillie, Valera Veryazov, Oskar Weser, Tomasz A Wesolowski, Per-Olof Widmark, Sebastian Wouters, Alexander Zech, J Patrick Zobel, Roland Lindh

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Exploring Structure–Property Relations of B,S-Doped Polycyclic Aromatic Hydrocarbons through the Trinity of Synthesis, Spectroscopy, and Theory von Jin, Tao, Kunze, Lukas, Breimaier, Stefanie, Bolte, Michael, Lerner, Hans-Wolfram, Jäkle, Frieder, Winter, Rainer F., Braun, Markus, Mewes, Jan-Michael, Wagner, Matthias

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Significant Reduction in Helicobacter pylori Load in Humans with Non-viable Lactobacillus reuteri DSM17648: A Pilot Study von Holz, Caterina, Busjahn, Andreas, Mehling, Heidrun, Arya, Stefanie, Boettner, Mewes, Habibi, Hajar, Lang, Christine

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