Can the current density map topology be extracted from the nucleus independent chemical shifts? von Van Damme, Sofie, Acke, Guillaume, Havenith, Remco W. A, Bultinck, Patrick

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Bulk Heterojunction Morphologies with Atomistic Resolution from Coarse-Grain Solvent Evaporation Simulations von Alessandri, Riccardo, Uusitalo, Jaakko J, de Vries, Alex H, Havenith, Remco W. A, Marrink, Siewert J

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Singlet Fission Rate: Optimized Packing of a Molecular Pair. Ethylene as a Model von Zaykov, Alexandr, Felkel, Petr, Buchanan, Eric A, Jovanovic, Milena, Havenith, Remco W. A, Kathir, R. K, Broer, Ria, Havlas, Zdeněk, Michl, Josef

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N-type organic thermoelectrics: demonstration of ZT > 0.3 von Liu, Jian, van der Zee, Bas, Alessandri, Riccardo, Sami, Selim, Dong, Jingjin, Nugraha, Mohamad I., Barker, Alex J., Rousseva, Sylvia, Qiu, Li, Qiu, Xinkai, Klasen, Nathalie, Chiechi, Ryan C., Baran, Derya, Caironi, Mario, Anthopoulos, Thomas D., Portale, Giuseppe, Havenith, Remco W. A., Marrink, Siewert J., Hummelen, Jan C., Koster, L. Jan Anton

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The Role of Connectivity on Electronic Properties of Lead Iodide Perovskite-Derived Compounds von Kamminga, Machteld E, de Wijs, Gilles A, Havenith, Remco W. A, Blake, Graeme R, Palstra, Thomas T.M

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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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How Ethylene Glycol Chains Enhance the Dielectric Constant of Organic Semiconductors: Molecular Origin and Frequency Dependence von Sami, Selim, Alessandri, Riccardo, Broer, Ria, Havenith, Remco W. A

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Changes in aromaticity of spin-crossover complexes: a signature for non-innocent ligands von Cunha, Ana V, Milocco, Francesca, Otten, Edwin, Havenith, Remco W. A

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Periodoannulenes: A Generalized Annulene-within-an-Annulene Paradigm for Combined σ and π Ring Currents von Fowler, Patrick W, Havenith, Remco W.A

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Quantifying the conceptual problems associated with the isotropic NICS through analyses of its underlying density von Acke, Guillaume, Van Damme, Sofie, Havenith, Remco W A, Bultinck, Patrick

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Electronic Control of Spin-Crossover Properties in Four-Coordinate Bis(formazanate) Iron(II) Complexes von Milocco, Francesca, de Vries, Folkert, Bartels, Imke M. A, Havenith, Remco W. A, Cirera, Jordi, Demeshko, Serhiy, Meyer, Franc, Otten, Edwin

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Reduced Common Molecular Orbital Basis for Nonorthogonal Configuration Interaction von Kathir, R. K, de Graaf, Coen, Broer, Ria, Havenith, Remco W. A

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The electronic structure of carbones revealed: insights from valence bond theory von Havenith, Remco W. A, Cunha, Ana V, Klein, Johannes E. M. N, Perolari, Francesca, Feng, Xintao

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Strategy for Enhancing the Dielectric Constant of Organic Semiconductors Without Sacrificing Charge Carrier Mobility and Solubility von Torabi, Solmaz, Jahani, Fatemeh, Van Severen, Ineke, Kanimozhi, Catherine, Patil, Satish, Havenith, Remco W. A., Chiechi, Ryan C., Lutsen, Laurence, Vanderzande, Dirk J. M., Cleij, Thomas J., Hummelen, Jan C., Koster, L. Jan Anton

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Theoretical Study of the Charge Transfer Exciton Binding Energy in Semiconductor Materials for Polymer:Fullerene-Based Bulk Heterojunction Solar Cells von Izquierdo, Maria A, Broer, Ria, Havenith, Remco W. A

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[FeS] cubane in sulfite reductases: new insights into bonding properties and reactivity von Khan, Shahriar N, Griffith, Alexa, De Proft, Frank, Miliordos, Evangelos, Havenith, Remco W. A, Bykov, Dmytro, Cunha, Ana V

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Amphipathic Side Chain of a Conjugated Polymer Optimizes Dopant Location toward Efficient N‐Type Organic Thermoelectrics von Liu, Jian, Ye, Gang, Potgieser, Hinderikus G. O., Koopmans, Marten, Sami, Selim, Nugraha, Mohamad Insan, Villalva, Diego Rosas, Sun, Hengda, Dong, Jingjin, Yang, Xuwen, Qiu, Xinkai, Yao, Chen, Portale, Giuseppe, Fabiano, Simone, Anthopoulos, Thomas D., Baran, Derya, Havenith, Remco W. A., Chiechi, Ryan C., Koster, L. Jan Anton

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The magnetic fingerprint of dithiazolyl-based molecule magnets von Francese, Tommaso, Ribas-Arino, Jordi, Novoa, Juan J, Havenith, Remco W A, Broer, Ria, de Graaf, Coen, Deumal, Mercè

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Interpreting the behavior of the NICSzz by resolving in orbitals, sign, and positions von Acke, Guillaume, Van Damme, Sofie, Havenith, Remco W. A., Bultinck, Patrick

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Cyclopentene ring effects in cyanine dyes: a handle to fine-tune photophysical properties von Neme, Natlia, Jansen, Thomas L. C, Havenith, Remco W. A

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