Machine learning enables long time scale molecular photodynamics simulations von Westermayr, Julia, Gastegger, Michael, Menger, Maximilian F. S. J, Mai, Sebastian, González, Leticia, Marquetand, Philipp

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Light‐Induced Mechanistic Divergence in Gold(I) Catalysis: Revisiting the Reactivity of Diazonium Salts von Taschinski, Svenja, Döpp, René, Ackermann, Martin, Rominger, Frank, Vries, Folkert, Menger, Maximilian F. S. J., Rudolph, Matthias, Hashmi, A. Stephen K., Klein, Johannes E. M. N.

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Highly efficient surface hopping dynamics using a linear vibronic coupling model von Plasser, Felix, Gómez, Sandra, Menger, Maximilian F S J, Mai, Sebastian, González, Leticia

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Enantioconvergent Negishi Cross‐Couplings of Racemic Secondary Organozinc Reagents to Access Privileged Scaffolds: A Combined Experimental and Theoretical Study von Preinfalk, Alexander, Oost, Rik, Menger, Maximilian F. S. J., Simaan, Marwan, Lemouzy, Sébastien, Senoner, Samuel, Shaaban, Saad, Maryasin, Boris, González, Leticia, Maulide, Nuno

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The modeling of the absorption lineshape for embedded molecules through a polarizable QM/MM approach von Loco, Daniele, Jurinovich, Sandro, Cupellini, Lorenzo, Menger, Maximilian F. S. J., Mennucci, Benedetta

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PySurf: A Framework for Database Accelerated Direct Dynamics von Menger, Maximilian F. S. J, Ehrmaier, Johannes, Faraji, Shirin

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Surface Hopping within an Exciton Picture. An Electrostatic Embedding Scheme von Menger, Maximilian F. S. J, Plasser, Felix, Mennucci, Benedetta, González, Leticia

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Giving a Voice to Patients With Smell Disorders Associated With COVID-19: Cross-Sectional Longitudinal Analysis Using Natural Language Processing of Self-Reports von Menger, Nick S, Tognetti, Arnaud, Farruggia, Michael C, Mucignat, Carla, Bhutani, Surabhi, Cooper, Keiland W, Rohlfs Domínguez, Paloma, Heinbockel, Thomas, Shields, Vonnie D C, D'Errico, Anna, Pereda-Loth, Veronica, Pierron, Denis, Koyama, Sachiko, Croijmans, Ilja

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Deciphering the Chemical Basis of Fluorescence of a Selenium‐Labeled Uracil Probe when Bound at the Bacterial Ribosomal A‐Site von Cardenas, Gustavo, Menger, Maximilian F. S. J., Ramos‐Berdullas, Nicolás, Sánchez‐Murcia, Pedro A.

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Competing ultrafast photoinduced electron transfer and intersystem crossing of [Re(CO)3(Dmp)(His124)(Trp122)]+ in Pseudomonas aeruginosa azurin: a nonadiabatic dynamics study von Mai, Sebastian, Menger, Maximilian F. S. J., Marazzi, Marco, Stolba, Dario L., Monari, Antonio, González, Leticia

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Influence of the Environment on Shaping the Absorption of Monomeric Infrared Fluorescent Proteins von Rathnachalam, Sivasudhan, Menger, Maximilian F. S. J, Faraji, Shirin

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Solvent Effects on Electronically Excited States: QM/Continuum Versus QM/Explicit Models von De Vetta, Martina, Menger, Maximilian F. S. J, Nogueira, Juan J, González, Leticia

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Morphologic Features and Development of Granulomatous Vasculitis in Feline Infectious Peritonitis von Kipar, A., May, H., Menger, S., Weber, M., Leukert, W., Reinacher, M.

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Excited-State Gradients in Polarizable QM/MM Models: An Induced Dipole Formulation von Menger, Maximilian F. S. J, Caprasecca, Stefano, Mennucci, Benedetta

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Q‑Force: Quantum Mechanically Augmented Molecular Force Fields von Sami, Selim, Menger, Maximilian F.S.J, Faraji, Shirin, Broer, Ria, Havenith, Remco W. A

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Age Differences in Learning-Related Neurophysiological Changes: Measures of Brain Activity, Eye Tracking, Skin Conductance, Heart Rate, and Respiration von Tinga, Angelica M., Menger, Nick S., de Back, Tycho T., Louwerse, Max M.

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On the Fluorescence Properties and Nonradiative Transitions in Medium-Sized All-Trans Polyenes von Menger, Maximilian F. S. J., Köppel, Horst

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Light‐Induced Mechanistic Divergence in Gold(I) Catalysis: Revisiting the Reactivity of Diazonium Salts von Taschinski, Svenja, Döpp, René, Ackermann, Martin, Rominger, Frank, Vries, Folkert, Menger, Maximilian F. S. J., Rudolph, Matthias, Hashmi, A. Stephen K., Klein, Johannes E. M. N.

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Ultrafast Photoinduced Dynamics in 1,3-Cyclohexadiene: A Comparison of Trajectory Surface Hopping Schemes von Salazar, Edison X., Menger, Maximilian F. S. J., Faraji, Shirin

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INAQS, a Generic Interface for Nonadiabatic QM/MM Dynamics: Design, Implementation, and Validation for GROMACS/Q-CHEM simulations von Cofer-Shabica, D. Vale, Menger, Maximilian F. S. J., Ou, Qi, Shao, Yihan, Subotnik, Joseph E., Faraji, Shirin

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