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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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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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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Computational approach to the study of thermal spin crossover phenomena von Rudavskyi, Andrii, Sousa, Carmen, de Graaf, Coen, Havenith, Remco W A, Broer, Ria

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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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Computational determination of the dominant triplet population mechanism in photoexcited benzophenone von Sergentu, Dumitru-Claudiu, Maurice, Rémi, Havenith, Remco W A, Broer, Ria, Roca-Sanjuán, Daniel

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Stabilization of the Low-Spin State in a Mononuclear Iron(II) Complex and High-Temperature Cooperative Spin Crossover Mediated by Hydrogen Bonding von Zheng, Sipeng, Reintjens, Niels R. M., Siegler, Maxime A., Roubeau, Olivier, Bouwman, Elisabeth, Rudavskyi, Andrii, Havenith, Remco W. A., Bonnet, Sylvestre

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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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Non-innocent side-chains with dipole moments in organic solar cells improve charge separation von de Gier, Hilde D, Broer, Ria, Havenith, Remco W. A

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Charge Recombination Suppressed by Destructive Quantum Interference in Heterojunction Materials von Tempelaar, Roel, Koster, L. Jan Anton, Havenith, Remco W. A, Knoester, Jasper, Jansen, Thomas L. C

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Double Aromaticity and Ring Currents in All‐Carbon Rings von Fowler, Patrick W., Mizoguchi, Noriyuki, Bean, David E., Havenith, Remco W. A.

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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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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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Enhancing doping efficiency by improving host-dopant miscibility for fullerene-based n-type thermoelectrics von Qiu, Li, Liu, Jian, Alessandri, Riccardo, Qiu, Xinkai, Koopmans, Marten, Havenith, Remco W. A., Marrink, Siewert J., Chiechi, Ryan C., Anton Koster, L. Jan, Hummelen, Jan C.

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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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The Halogen Bond in Weakly Bonded Complexes and the Consequences for Aromaticity and Spin-Orbit Coupling von Cunha, Ana V, Havenith, Remco W A, van Gog, Jari, De Vleeschouwer, Freija, De Proft, Frank, Herrebout, Wouter

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