Intensivmedizinische Probleme nach kardiochirurgischen Eingriffen in der Neugeborenenperiode von Hörnchen, H., Dreuw, M., Merz, U., Seghaye, M. C., Däbritz, S., Klein, G., Messmer, B. J.

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Single-Reference ab Initio Methods for the Calculation of Excited States of Large Molecules von Dreuw, Andreas, Head-Gordon, Martin

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Long-range charge-transfer excited states in time-dependent density functional theory require non-local exchange von Dreuw, Andreas, Weisman, Jennifer L., Head-Gordon, Martin

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On the accuracy of the general, state-specific polarizable-continuum model for the description of correlated ground- and excited states in solution von Mewes, Jan-Michael, Herbert, John M, Dreuw, Andreas

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KineticNet: Deep learning a transferable kinetic energy functional for orbital-free density functional theory von Remme, R., Kaczun, T., Scheurer, M., Dreuw, A., Hamprecht, F. A.

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Experimental Benchmark Data and Systematic Evaluation of Two a Posteriori, Polarizable-Continuum Corrections for Vertical Excitation Energies in Solution von Mewes, Jan-Michael, You, Zhi-Qiang, Wormit, Michael, Kriesche, Thomas, Herbert, John M, Dreuw, Andreas

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Intensivmedizinische Probleme nach kardiochirurgischen Eingriffen in der Neugeborenenperiode von HÖRNCHEN, H, DREUW, M, MERZ, U, SEGHAYE, M. C, DÄBRITZ, S, KLEIN, G, MESSMER, B. J

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Scaled opposite-spin atomic-orbital based algebraic diagrammatic construction scheme for the polarization propagator with asymptotic linear-scaling effort: Theory and implementatio... von Ambroise, M. A., Sacchetta, F., Graf, D., Ochsenfeld, C., Dreuw, A.

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Algebraic-diagrammatic construction scheme for the polarization propagator including ground-state coupled-cluster amplitudes. II. Static polarizabilities von Hodecker, Manuel, Rehn, Dirk R., Norman, Patrick, Dreuw, Andreas

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VeloxChem: A Python‐driven density‐functional theory program for spectroscopy simulations in high‐performance computing environments von Rinkevicius, Zilvinas, Li, Xin, Vahtras, Olav, Ahmadzadeh, Karan, Brand, Manuel, Ringholm, Magnus, List, Nanna Holmgaard, Scheurer, Maximilian, Scott, Mikael, Dreuw, Andreas, Norman, Patrick

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An effective sub-quadratic scaling atomic-orbital reformulation of the scaled opposite-spin RI-CC2 ground-state model using Cholesky-decomposed densities and an attenuated Coulomb... von Sacchetta, F., Graf, D., Laqua, H., Ambroise, M. A., Kussmann, J., Dreuw, A., Ochsenfeld, C.

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A Metal‐Free Direct Arene C−H Amination von Wang, Tao, Hoffmann, Marvin, Dreuw, Andreas, Hasagić, Edina, Hu, Chao, Stein, Philipp M., Witzel, Sina, Shi, Hongwei, Yang, Yangyang, Rudolph, Matthias, Stuck, Fabian, Rominger, Frank, Kerscher, Marion, Comba, Peter, Hashmi, A. Stephen K.

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The influence of the bromine atom Cooper minimum on the photoelectron angular distributions and branching ratios of the four outermost bands of bromobenzene von Powis, I, Holland, D M P, Antonsson, E, Patanen, M, Nicolas, C, Miron, C, Schneider, M, Soshnikov, D Yu, Dreuw, A, Trofimov, A B

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Geometry dependence of excitonic couplings and the consequences for configuration‐space sampling von Schieschke, Nils, Bold, Beatrix M., Dohmen, Philipp M., Wehl, Daniel, Hoffmann, Marvin, Dreuw, Andreas, Elstner, Marcus, Höfener, Sebastian

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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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Homoconjugation and Intramolecular Charge Transfer in Extended Aromatic Triptycenes with Different π‑Planes von Baumgärtner, Kevin, Hoffmann, Marvin, Rominger, Frank, Elbert, Sven M, Dreuw, Andreas, Mastalerz, Michael

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Synthesis of Fulvene Vinyl Ethers by Gold Catalysis von Ahrens, Alexander, Schwarz, Julia, Lustosa, Danilo M., Pourkaveh, Raheleh, Hoffmann, Marvin, Rominger, Frank, Rudolph, Matthias, Dreuw, Andreas, Hashmi, A. Stephen K.

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Enhanced expression levels of IL-31 correlate with IL-4 and IL-13 in atopic and allergic contact dermatitis von Neis, Mark M., Peters, Bettina, Dreuw, Alexandra, Wenzel, Joerg, Bieber, Thomas, Mauch, Cornelia, Krieg, Thomas, Stanzel, Sven, Heinrich, Peter C., Merk, Hans F., Bosio, Andreas, Baron, Jens M., Hermanns, Heike M.

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Intermediate state representation approach to physical properties of molecular electron-attached states: Theory, implementation, and benchmarking von Dempwolff, Adrian L., Belogolova, Alexandra M., Trofimov, Alexander B., Dreuw, Andreas

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Application of the scaled-opposite-spin approximation to algebraic diagrammatic construction schemes of second order von Krauter, Caroline M, Pernpointner, Markus, Dreuw, Andreas

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