A Supported Bismuth Halide Perovskite Photocatalyst for Selective Aliphatic and Aromatic C–H Bond Activation von Dai, Yitao, Poidevin, Corentin, Ochoa‐Hernández, Cristina, Auer, Alexander A., Tüysüz, Harun

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Automatic Generation of Auxiliary Basis Sets von Stoychev, Georgi L, Auer, Alexander A, Neese, Frank

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Decomposition of Intermolecular Interaction Energies within the Local Pair Natural Orbital Coupled Cluster Framework von Schneider, Wolfgang B, Bistoni, Giovanni, Sparta, Manuel, Saitow, Masaaki, Riplinger, Christoph, Auer, Alexander A, Neese, Frank

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DLPNO-MP2 second derivatives for the computation of polarizabilities and NMR shieldings von Stoychev, Georgi L., Auer, Alexander A., Gauss, Jürgen, Neese, Frank

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Comparison of fully internally and strongly contracted multireference configuration interaction procedures von Sivalingam, Kantharuban, Krupicka, Martin, Auer, Alexander A., Neese, Frank

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A Cooperative Rhodium/Secondary Phosphine Oxide [Rh/P(O)nBu2] Template for Catalytic Hydrodefluorination of Perfluoroarenes von Chang, Wei‐Chieh, Randel, Helena, Weyhermüller, Thomas, Auer, Alexander A., Farès, Christophe, Werlé, Christophe

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Standardized Benchmarking of Water Splitting Catalysts in a Combined Electrochemical Flow Cell/Inductively Coupled Plasma–Optical Emission Spectrometry (ICP-OES) Setup von Spanos, Ioannis, Auer, Alexander A, Neugebauer, Sebastian, Deng, Xiaohui, Tüysüz, Harun, Schlögl, Robert

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High resolution transmission electron microscopy and electronic structure theory investigation of platinum nanoparticles on carbon black von Poidevin, Corentin, Paciok, Paul, Heggen, Marc, Auer, Alexander A.

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Treating Subvalence Correlation Effects in Domain Based Pair Natural Orbital Coupled Cluster Calculations: An Out-of-the-Box Approach von Bistoni, Giovanni, Riplinger, Christoph, Minenkov, Yury, Cavallo, Luigi, Auer, Alexander A, Neese, Frank

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Parallel Calculation of CCSD and CCSD(T) Analytic First and Second Derivatives von Harding, Michael E, Metzroth, Thorsten, Gauss, Jürgen, Auer, Alexander A

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Structure and Reactivity of 1,8-Bis(naphthalenediyl)dipnictanes von Dzialkowski, Kevin, Gehlhaar, Alexander, Wölper, Christoph, Auer, Alexander A, Schulz, Stephan

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Tensor decomposition in post-Hartree-Fock methods. I. Two-electron integrals and MP2 von Benedikt, Udo, Auer, Alexander A., Espig, Mike, Hackbusch, Wolfgang

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Understanding the Role of Dispersion in Frustrated Lewis Pairs and Classical Lewis Adducts: A Domain‐Based Local Pair Natural Orbital Coupled Cluster Study von Bistoni, Giovanni, Auer, Alexander A., Neese, Frank

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Combined coupled-cluster and many-body perturbation theories von Hirata, So, Fan, Peng-Dong, Auer, Alexander A, Nooijen, Marcel, Piecuch, Piotr

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Efficient and Accurate Prediction of Nuclear Magnetic Resonance Shielding Tensors with Double-Hybrid Density Functional Theory von Stoychev, Georgi L, Auer, Alexander A, Neese, Frank

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Evaluation of dispersion type metal···π arene interaction in arylbismuth compounds - an experimental and theoretical study von Preda, Ana-Maria, Krasowska, Małgorzata, Wrobel, Lydia, Kitschke, Philipp, Andrews, Phil C, MacLellan, Jonathan G, Mertens, Lutz, Korb, Marcus, Rüffer, Tobias, Lang, Heinrich, Auer, Alexander A, Mehring, Michael

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Nanocomposites with Structure Domains of 0.5 to 3 nm by Polymerization of Silicon Spiro Compounds von Spange, Stefan, Kempe, Patrick, Seifert, Andreas, Auer, Alexander A, Ecorchard, Petra, Lang, Heinrich, Falke, Meiken, Hietschold, Michael, Pohlers, Andreas, Hoyer, Walter, Cox, Gerhard, Kockrick, Emanuel, Kaskel, Stefan

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Porous Ge@C materials via twin polymerization of germanium( ii ) salicyl alcoholates for Li-ion batteries von Kitschke, Philipp, Walter, Marc, Rüffer, Tobias, Seifert, Andreas, Speck, Florian, Seyller, Thomas, Spange, Stefan, Lang, Heinrich, Auer, Alexander A., Kovalenko, Maksym V., Mehring, Michael

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Investigating the stability of graphitic carbon materials in electrocatalysis using electronic structure methods von Poidevin, Corentin, Auer, Alexander A.

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Rationalizing polymorphism with local correlation-based methods: a case study of pnictogen molecular crystals von Altun, Ahmet, Schiavo, Eduardo, Mehring, Michael, Schulz, Stephan, Bistoni, Giovanni, Auer, Alexander A.

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