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Frontiers in Multiscale Modeling of Photoreceptor Proteins Mroginski, Maria‐Andrea; Adam, Suliman; Amoyal, Gil S.; Barnoy, Avishai; ... Schapiro, Igor 2021
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On the correlation potential in Frozen-Density Embedding Theory Wesolowski, Tomasz Adam 2020
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The Origin of the Solvatochromism in Organic Fluorophores with Flexible Side Chains: A Case Study of Flugi-2 Wolff, Franziska E.; Höfener, Sebastian; Elstner, Marcus; Wesolowski, Tomasz Adam 2019
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Development of Frozen-Density Embedding theory methods with correlated wavefunctions Zech, Alexander 2019
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Computing excited state properties of chromophores: a challenge for the computational chemist Humbert-Droz, Marie 2017
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Implementation and Application of the Frozen Density Embedding Theory with the Algebraic Diagrammatic Construction Scheme for the Polarization Propagator up to Third Order Prager, Stefan; Zech, Alexander; Wesolowski, Tomasz Adam; Dreuw, Andreas 2017
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Fluorescence quantum yield rationalized by the magnitude of the charge transfer in π-conjugated terpyridine derivatives Humbert-Droz, Marie; Piguet, Claude; Wesolowski, Tomasz Adam 2016
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First time combination of frozen density embedding theory with the algebraic diagrammatic construction scheme for the polarization propagator of second order Prager, Stefan; Zech, Alexander; Aquilante, Francesco; Dreuw, Andreas; Wesolowski, Tomasz Adam 2016
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Looking for the Origin of Allosteric Cooperativity in Metallopolymers Babel, Lucille; Hoang, Thi Nhu Y; Guenee, Laure; Besnard, Céline; ... Piguet, Claude 2016
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Homogeneity properties of the embedding potential in frozen-density embedding theory Zech, Alexander; Aquilante, Francesco; Wesolowski, Tomasz Adam 2016
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Frozen-density embedding theory with average solvent charge densities from explicit atomistic simulations Laktionov, Andréy; Chalaye, Emilie; Wesolowski, Tomasz Adam 2016
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Orthogonality of embedded wave functions for different states in frozen-density embedding theory Zech, Alexander; Aquilante, Francesco; Wesolowski, Tomasz Adam 2015
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Frozen-Density Embedding Strategy for Multilevel Simulations of Electronic Structure Wesolowski, Tomasz Adam; Shedge, Sapana; Zhou, Xiuwen 2015
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Rigid Urea and Self-Healing Thiourea Ethanolamine Monolayers Stefaniu, Cristina; Zaffalon, Pierre-Léonard; Carmine, Alessio; Verolet, Quentin; ... Zumbuehl, Andréas 2015
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Spectral Tuning of Rhodopsin and Visual Cone Pigments Zhou, Xiuwen; Sundholm, Dage; Wesolowski, Tomasz Adam; Kaila, Ville R. I. 2014
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Non-uniform Continuum Model for Solvated Species Based on Frozen-Density Embedding Theory: The Study Case of Solvatochromism of Coumarin 153 Shedge, Sapana; Zhou, Xiuwen; Wesolowski, Tomasz Adam 2014
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Nonuniform Continuum Model for Solvatochromism Based on Frozen-Density Embedding Theory Shedge, Sapana; Wesolowski, Tomasz Adam 2014
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Embedding potentials for excited states of embedded species Wesolowski, Tomasz Adam 2014
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Atomic shell structure from the Single-Exponential Decay Detector De Silva, Piotr; Korchowiec, Jacek; Wesolowski, Tomasz Adam 2014
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Multi-scale simulations of the UV-vis absorption spectra of organic chromophores in condensed phases Zhou, Xiuwen 2014
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