Automated Selection of Active Orbital Spaces von Stein, Christopher J, Reiher, Markus

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autoCAS: A Program for Fully Automated Multiconfigurational Calculations von Stein, Christopher J., Reiher, Markus

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Cooperative Light‐Activated Iodine and Photoredox Catalysis for the Amination of Csp3 −H Bonds von Becker, Peter, Duhamel, Thomas, Stein, Christopher J., Reiher, Markus, Muñiz, Kilian

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The effect of clinical simulation assessment on stress and anxiety measures in emergency care students von Stein, Christopher

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Benchmarking DFT-based excited-state methods for intermolecular charge-transfer excitations von Bogo, Nicola, Stein, Christopher J

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The Delicate Balance of Static and Dynamic Electron Correlation von Stein, Christopher J, von Burg, Vera, Reiher, Markus

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Modern quantum chemistry with [Open]Molcas von Aquilante, Francesco, Autschbach, Jochen, Baiardi, Alberto, Battaglia, Stefano, Borin, Veniamin A., Chibotaru, Liviu F., Conti, Irene, De Vico, Luca, Delcey, Mickaël, Fdez. Galván, Ignacio, Ferré, Nicolas, Freitag, Leon, Garavelli, Marco, Gong, Xuejun, Knecht, Stefan, Larsson, Ernst D., Lindh, Roland, Lundberg, Marcus, Malmqvist, Per Åke, Nenov, Artur, Norell, Jesper, Odelius, Michael, Olivucci, Massimo, Pedersen, Thomas B., Pedraza-González, Laura, Phung, Quan M., Pierloot, Kristine, Reiher, Markus, Schapiro, Igor, Segarra-Martí, Javier, Segatta, Francesco, Seijo, Luis, Sen, Saumik, Sergentu, Dumitru-Claudiu, Stein, Christopher J., Ungur, Liviu, Vacher, Morgane, Valentini, Alessio, Veryazov, Valera

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A Statistical Perspective on Microsolvation von Rahbar, Mohammad, Stein, Christopher J.

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Automated Identification of Relevant Frontier Orbitals for Chemical Compounds and Processes von Stein, Christopher J, Reiher, Markus

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Automated, Consistent, and Even-Handed Selection of Active Orbital Spaces for Quantum Embedding von Kolodzeiski, Elena, Stein, Christopher J.

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Stripping away ion hydration shells in electrical double-layer formation: Water networks matter von Alfarano, Serena R., Pezzotti, Simone, Stein, Christopher J., Lin, Zhou, Sebastiani, Federico, Funke, Sarah, Hoberg, Claudius, Kolling, Inga, Ma, Chun Yu, Mauelshagen, Katja, Ockelmann, Thorsten, Schwaab, Gerhard, Fu, Li, Brubach, Jean-Blaise, Roy, Pascale, Head-Gordon, Martin, Tschulik, Kristina, Gaigeot, Marie-Pierre, Havenith, Martina

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Vibrational Density Matrix Renormalization Group von Baiardi, Alberto, Stein, Christopher J, Barone, Vincenzo, Reiher, Markus

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Optimization of highly excited matrix product states with an application to vibrational spectroscopy von Baiardi, Alberto, Stein, Christopher J., Barone, Vincenzo, Reiher, Markus

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The Poisson–Boltzmann model for implicit solvation of electrolyte solutions: Quantum chemical implementation and assessment via Sechenov coefficients von Stein, Christopher J., Herbert, John M., Head-Gordon, Martin

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Engineering Molecular Iodine Catalysis for Alkyl–Nitrogen Bond Formation von Duhamel, Thomas, Stein, Christopher J, Martínez, Claudio, Reiher, Markus, Muñiz, Kilian

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Semiclassical Dispersion Corrections Efficiently Improve Multiconfigurational Theory with Short-Range Density-Functional Dynamic Correlation von Stein, Christopher J, Reiher, Markus

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Enantioselective Intramolecular ortho Photocycloaddition Reactions of 2‐Acetonaphthones von Yan, Peng, Stegbauer, Simone, Wu, Qinqin, Kolodzeiski, Elena, Stein, Christopher J., Lu, Ping, Bach, Thorsten

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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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A randomized, multicenter trial assessing the effects of rapastinel compared to ketamine, alprazolam, and placebo on simulated driving performance von Su, Shengfang, Kay, Gary, Hochadel, Thomas, Rojo, Jonathan, Christopher Stein, J., Boinpally, Ramesh, Periclou, Antonia

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Patient Perceptions and Preferences Regarding Telemedicine for Autoimmune Rheumatic Diseases Care During the COVID‐19 Pandemic von Danila, Maria I., Gavigan, Kelly, Rivera, Esteban, Nowell, W. Benjamin, George, Michael D., Curtis, Jeffrey R., Christopher‐Stein, Lisa, Banerjee, Shubhasree, Merkel, Peter A., Young, Kalen, Shaw, Dianne G., Gordon, Jennifer, Venkatachalam, Shilpa

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