Solubility prediction, solvate and cocrystal screening as tools for rational crystal engineering von Loschen, Christoph, Klamt, Andreas

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COSMO-RS based predictions for the SAMPL6 logP challenge von Loschen, Christoph, Reinisch, Jens, Klamt, Andreas

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Rational Coformer or Solvent Selection for Pharmaceutical Cocrystallization or Desolvation von Abramov, Yuriy A., Loschen, Christoph, Klamt, Andreas

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Prediction of Solubilities and Partition Coefficients in Polymers Using COSMO-RS von Loschen, Christoph, Klamt, Andreas

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Cocrystal Ternary Phase Diagrams from Density Functional Theory and Solvation Thermodynamics von Loschen, Christoph, Klamt, Andreas

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Computational Screening of Drug Solvates von Loschen, Christoph, Klamt, Andreas

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COSMO quick : A Novel Interface for Fast σ-Profile Composition and Its Application to COSMO-RS Solvent Screening Using Multiple Reference Solvents von Loschen, Christoph, Klamt, Andreas

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COSMOquick: A Novel Interface for Fast σ‑Profile Composition and Its Application to COSMO-RS Solvent Screening Using Multiple Reference Solvents von Loschen, Christoph, Klamt, Andreas

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A first structural and theoretical comparison of pyridinylidene-type rNHC (remote N-heterocyclic carbene) and NHC complexes of Ni(II) obtained by oxidative substitution von Schneider, Sabine K, Julius, Gerrit R, Loschen, Christoph, Raubenheimer, Helgard G, Frenking, Gernot, Herrmann, Wolfgang A

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Atomic and Electronic Structure of Cerium Oxide Stepped Model Surfaces von Branda, María M, Loschen, Christoph, Neyman, Konstantin M, Illas, Francesc

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Synthesis, Structure and Reactivity of Trimethylsilyl-Substituted Phosphametallocenes von Loschen, Rebekka, Loschen, Christoph, Frank, Walter, Ganter, Christian

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Computer aided recipe design: optimization of polydisperse chemical mixtures using molecular descriptors von MacKenzie, Anja, Schneider, Jakob, Meyer, Jan, Loschen, Christoph

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Density functional studies of model cerium oxide nanoparticles von LOSCHEN, Christoph, MIGANI, Annapaola, BROMLEY, Stefan T, ILLAS, Francesc, NEYMAN, Konstantin M

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Towards a rigorously defined quantum chemical analysis of the chemical bond in donor–acceptor complexes von Frenking, Gernot, Wichmann, Karin, Fröhlich, Nikolaus, Loschen, Christoph, Lein, Matthias, Frunzke, Jan, Rayón, Vı́ctor M

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Edge sites as a gate for subsurface carbon in palladium nanoparticles von Viñes, Francesc, Loschen, Christoph, Illas, Francesc, Neyman, Konstantin M.

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Understanding Ceria Nanoparticles from First-Principles Calculations von Loschen, Christoph, Bromley, Stefan T, Neyman, Konstantin M, Illas, Francesc

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First-principles LDA + U and GGA + U study of cerium oxides: Dependence on the effective U parameter von Loschen, Christoph, Carrasco, Javier, Neyman, Konstantin M., Illas, Francesc

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Electronic structure of CO-An exercise in modern chemical bonding theory von Frenking, Gernot, Loschen, Christoph, Krapp, Andreas, Fau, Stefan, Strauss, Steven H.

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Ab Initio Kinetic Modeling of Living Anionic and Zwitterionic Chain Polymerization Mechanisms von Loschen, Christoph, Otte, Nikolaj, Radchenko, Eugene

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Towards size-converged properties of model ceria nanoparticles: Monitoring by adsorbed CO using DFT + U approach von Migani, Annapaola, Loschen, Christoph, Illas, Francesc, Neyman, Konstantin M.

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