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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Modeling Solvatochromic Shifts Using the Orbital-Free Embedding Potential at Statistically Mechanically Averaged Solvent Density von Kaminski, Jakub W, Gusarov, Sergey, Wesolowski, Tomasz A, Kovalenko, Andriy

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Frontiers in Multiscale Modeling of Photoreceptor Proteins von Mroginski, Maria‐Andrea, Adam, Suliman, Amoyal, Gil S., Barnoy, Avishai, Bondar, Ana‐Nicoleta, Borin, Veniamin A., Church, Jonathan R., Domratcheva, Tatiana, Ensing, Bernd, Fanelli, Francesca, Ferré, Nicolas, Filiba, Ofer, Pedraza‐González, Laura, González, Ronald, González‐Espinoza, Cristina E., Kar, Rajiv K., Kemmler, Lukas, Kim, Seung Soo, Kongsted, Jacob, Krylov, Anna I., Lahav, Yigal, Lazaratos, Michalis, NasserEddin, Qays, Navizet, Isabelle, Nemukhin, Alexander, Olivucci, Massimo, Olsen, Jógvan Magnus Haugaard, Pérez de Alba Ortíz, Alberto, Pieri, Elisa, Rao, Aditya G., Rhee, Young Min, Ricardi, Niccolò, Sen, Saumik, Solov'yov, Ilia A., De Vico, Luca, Wesolowski, Tomasz A., Wiebeler, Christian, Yang, Xuchun, Schapiro, Igor

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The deconvolution analysis of ATR-FTIR spectra of diacetylene during UV exposure von Ortuso, Roberto D., Ricardi, Niccolò, Bürgi, Thomas, Wesolowski, Tomasz A., Sugihara, Kaori

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Hydrogen-Bonding-Induced Shifts of the Excitation Energies in Nucleic Acid Bases:  An Interplay between Electrostatic and Electron Density Overlap Effects von Wesolowski, Tomasz A

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On the Correlation Potential in Frozen-Density Embedding Theory von Wesolowski, Tomasz A

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LiSc(BH4)4: A Novel Salt of Li+ and Discrete Sc(BH4)4 − Complex Anions von Hagemann, Hans, Longhini, Moïse, Kaminski, Jakub W, Wesolowski, Tomasz A, Černý, Radovan, Penin, Nicolas, Sørby, Magnus H, Hauback, Bjørn C, Severa, Godwin, Jensen, Craig M

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Looking for the Origin of Allosteric Cooperativity in Metallopolymers von Babel, Lucille, Hoang, Thi Nhu Y, Guénée, Laure, Besnard, Céline, Wesolowski, Tomasz A., Humbert-Droz, Marie, Piguet, Claude

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Optimizing Sensitization Processes in Dinuclear Luminescent Lanthanide Oligomers: Selection of Rigid Aromatic Spacers von Lemonnier, Jean-François, Guénée, Laure, Beuchat, César, Wesolowski, Tomasz A, Mukherjee, Prasun, Waldeck, David H, Gogick, Kristy A, Petoud, Stéphane, Piguet, Claude

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An Explicit Quantum Chemical Method for Modeling Large Solvation Shells Applied to Aminocoumarin C151 von Neugebauer, Johannes, Jacob, Christoph R, Wesolowski, Tomasz A, Baerends, Evert Jan

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Embedding potentials for excited states of embedded species von Wesolowski, Tomasz A

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The Challenge of Accurate Computation of Two-Photon Absorption Properties of Organic Chromophores in the Condensed Phase von Fu, Mingxue, Wesolowski, Tomasz A

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DFT exchange: sharing perspectives on the workhorse of quantum chemistry and materials science von Teale, Andrew M, Helgaker, Trygve, Savin, Andreas, Adamo, Carlo, Aradi, Bálint, Arbuznikov, Alexei V, Ayers, Paul W, Baerends, Evert Jan, Barone, Vincenzo, Calaminici, Patrizia, Cancès, Eric, Carter, Emily A, Chattaraj, Pratim Kumar, Chermette, Henry, Ciofini, Ilaria, Crawford, T. Daniel, De Proft, Frank, Dobson, John F, Draxl, Claudia, Frauenheim, Thomas, Fromager, Emmanuel, Fuentealba, Patricio, Gagliardi, Laura, Galli, Giulia, Gao, Jiali, Geerlings, Paul, Gidopoulos, Nikitas, Gill, Peter M. W, Gori-Giorgi, Paola, Görling, Andreas, Gould, Tim, Grimme, Stefan, Gritsenko, Oleg, Jensen, Hans Jørgen Aagaard, Johnson, Erin R, Jones, Robert O, Kaupp, Martin, Köster, Andreas M, Kronik, Leeor, Krylov, Anna I, Kvaal, Simen, Laestadius, Andre, Levy, Mel, Lewin, Mathieu, Liu, Shubin, Loos, Pierre-François, Maitra, Neepa T, Neese, Frank, Perdew, John P, Pernal, Katarzyna, Pernot, Pascal, Piecuch, Piotr, Rebolini, Elisa, Reining, Lucia, Romaniello, Pina, Ruzsinszky, Adrienn, Salahub, Dennis R, Scheffler, Matthias, Schwerdtfeger, Peter, Staroverov, Viktor N, Sun, Jianwei, Tellgren, Erik, Tozer, David J, Trickey, Samuel B, Ullrich, Carsten A, Vela, Alberto, Vignale, Giovanni, Wesolowski, Tomasz A, Xu, Xin, Yang, Weitao

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Extension of frozen-density embedding theory for non-variational embedded wavefunctions von Zech, Alexander, Dreuw, Andreas, Wesolowski, Tomasz A.

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Rigid Urea and Self-Healing Thiourea Ethanolamine Monolayers von Stefaniu, Cristina, Zaffalon, Pierre-Léonard, Carmine, Alessio, Verolet, Quentin, Fernandez, Samuel, Wesolowski, Tomasz A, Brezesinski, Gerald, Zumbuehl, Andreas

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Excitation Energies of Embedded Chromophores from Frozen-Density Embedding Theory Using State-Specific Electron Densities of the Environment von Fu, Mingxue, Wesolowski, Tomasz A.

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Symmetrized non-decomposable approximations of the non-additive kinetic energy functional von Polak, Elias, Englert, Tanguy, Gander, Martin J., Wesolowski, Tomasz A.

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Ion Pair−π Interactions von Fujisawa, Kaori, Humbert-Droz, Marie, Letrun, Romain, Vauthey, Eric, Wesolowski, Tomasz A, Sakai, Naomi, Matile, Stefan

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Explicit vs. implicit electronic polarisation of environment of an embedded chromophore in frozen-density embedding theory von Ricardi, Niccolò, Zech, Alexander, Gimbal-Zofka, Yann, Wesolowski, Tomasz A

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First time combination of frozen density embedding theory with the algebraic diagrammatic construction scheme for the polarization propagator of second order von Prager, Stefan, Zech, Alexander, Aquilante, Francesco, Dreuw, Andreas, Wesolowski, Tomasz A.

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