Learning from the 4-(dimethylamino)benzonitrile twist: Two-parameter range-separated local hybrid functional with high accuracy for triplet and charge-transfer excitations von Grotjahn, Robin

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An Overview of Significant Achievements in Ruthenium-Based Molecular Water Oxidation Catalysis von Kamdar, Jayneil M, Grotjahn, Douglas B

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Assessment of hybrid functionals for singlet and triplet excitations: Why do some local hybrid functionals perform so well for triplet excitation energies? von Grotjahn, Robin, Kaupp, Martin

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Reliable TDDFT Protocol Based on a Local Hybrid Functional for the Prediction of Vibronic Phosphorescence Spectra Applied to Tris(2,2′-bipyridine)-Metal Complexes von Grotjahn, Robin, Kaupp, Martin

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Comment on: “Toward Accurate Two-Photon Absorption Spectrum Simulations: Exploring the Landscape beyond the Generalized Gradient Approximation” von Grotjahn, Robin, Furche, Filipp

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Evaluation of historical CMIP6 model simulations of extreme precipitation over contiguous US regions von Srivastava, Abhishekh, Grotjahn, Richard, Ullrich, Paul A.

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Validation of Local Hybrid Functionals for Excited States: Structures, Fluorescence, Phosphorescence, and Vibronic Spectra von Grotjahn, Robin, Kaupp, Martin

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Bifunctional Organometallic Catalysts Involving Proton Transfer or Hydrogen Bonding von Grotjahn, Douglas B.

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Cryo-electron tomography reveals that dynactin recruits a team of dyneins for processive motility von Grotjahn, Danielle A., Chowdhury, Saikat, Xu, Yiru, McKenney, Richard J., Schroer, Trina A., Lander, Gabriel C.

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Mild and Selective Deuteration and Isomerization of Alkenes by a Bifunctional Catalyst and Deuterium Oxide von Erdogan, Gülin, Grotjahn, Douglas B

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TURBOMOLE: Modular program suite for ab initio quantum-chemical and condensed-matter simulations von Balasubramani, Sree Ganesh, Chen, Guo P., Coriani, Sonia, Diedenhofen, Michael, Frank, Marius S., Franzke, Yannick J., Furche, Filipp, Grotjahn, Robin, Harding, Michael E., Hättig, Christof, Hellweg, Arnim, Helmich-Paris, Benjamin, Holzer, Christof, Huniar, Uwe, Kaupp, Martin, Marefat Khah, Alireza, Karbalaei Khani, Sarah, Müller, Thomas, Mack, Fabian, Nguyen, Brian D., Parker, Shane M., Perlt, Eva, Rappoport, Dmitrij, Reiter, Kevin, Roy, Saswata, Rückert, Matthias, Schmitz, Gunnar, Sierka, Marek, Tapavicza, Enrico, Tew, David P., van Wüllen, Christoph, Voora, Vamsee K., Weigend, Florian, Wodyński, Artur, Yu, Jason M.

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Single Bifunctional Ruthenium Catalyst for One-Pot Cyclization and Hydration giving Functionalized Indoles and Benzofurans von Nair, Reji N., Lee, Paul J., Rheingold, Arnold L., Grotjahn, Douglas B.

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Common ground and divergence: OLED emitters as photocatalysts von Grotjahn, Sascha, König, Burkhard

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Bifunctional catalysts and related complexes: structures and properties von Grotjahn, Douglas B

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Supported Imidazolylphosphine Catalysts for Highly (E)‑Selective Alkene Isomerization von Erdogan, Gulin, Grotjahn, Douglas B

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Quantifying organellar ultrastructure in cryo-electron tomography using a surface morphometrics pipeline von Barad, Benjamin A, Medina, Michaela, Fuentes, Daniel, Wiseman, R Luke, Grotjahn, Danielle A

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Reentrant DNA shells tune polyphosphate condensate size von Chawla, Ravi, Tom, Jenna K. A., Boyd, Tumara, Tu, Nicholas H., Bai, Tanxi, Grotjahn, Danielle A., Park, Donghyun, Deniz, Ashok A., Racki, Lisa R.

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Photosubstitution in Dicyanobenzene-based Photocatalysts von Grotjahn, Sascha, König, Burkhard

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Identifying extreme hottest days from large scale upper air data: a pilot scheme to find California Central Valley summertime maximum surface temperatures von Grotjahn, Richard

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Development and Implementation of Excited-State Gradients for Local Hybrid Functionals von Grotjahn, Robin, Furche, Filipp, Kaupp, Martin

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