| First-principles and study of cerium oxides: Dependence on the effective U parameter C Loschen, J Carrasco, KM Neyman, F Illas Physical Review B—Condensed Matter and Materials Physics 75 (3), 035115, 2007 | 786 | 2007 |
| Towards a rigorously defined quantum chemical analysis of the chemical bond in donor–acceptor complexes G Frenking, K Wichmann, N Fröhlich, C Loschen, M Lein, J Frunzke, ... Coordination chemistry reviews 238, 55-82, 2003 | 458 | 2003 |
| Rational coformer or solvent selection for pharmaceutical cocrystallization or desolvation YA Abramov, C Loschen, A Klamt Journal of pharmaceutical sciences 101 (10), 3687-3697, 2012 | 196 | 2012 |
| Density functional studies of model cerium oxide nanoparticles C Loschen, A Migani, ST Bromley, F Illas, KM Neyman Physical Chemistry Chemical Physics 10 (37), 5730-5738, 2008 | 161 | 2008 |
| Solubility prediction, solvate and cocrystal screening as tools for rational crystal engineering C Loschen, A Klamt Journal of Pharmacy and Pharmacology 67 (6), 803-811, 2015 | 140 | 2015 |
| Electronic structure of CO—An exercise in modern chemical bonding theory G Frenking, C Loschen, A Krapp, S Fau, SH Strauss Journal of Computational Chemistry 28 (1), 117-126, 2007 | 135 | 2007 |
| Understanding ceria nanoparticles from first-principles calculations C Loschen, ST Bromley, KM Neyman, F Illas The Journal of Physical Chemistry C 111 (28), 10142-10145, 2007 | 113 | 2007 |
| Why Are Olefins Oxidized by RuO4 under Cleavage of the Carbon−Carbon Bond whereas Oxidation by OsO4 Yields cis-Diols? J Frunzke, C Loschen, G Frenking Journal of the American Chemical Society 126 (11), 3642-3652, 2004 | 83 | 2004 |
| Edge sites as a gate for subsurface carbon in palladium nanoparticles F Viñes, C Loschen, F Illas, KM Neyman Journal of Catalysis 266 (1), 59-63, 2009 | 79 | 2009 |
| Prediction of solubilities and partition coefficients in polymers using COSMO-RS C Loschen, A Klamt Industrial & Engineering Chemistry Research 53 (28), 11478-11487, 2014 | 78 | 2014 |
| A first structural and theoretical comparison of pyridinylidene-type rNHC (remote N-heterocyclic carbene) and NHC complexes of Ni (II) obtained by oxidative substitution SK Schneider, GR Julius, C Loschen, HG Raubenheimer, G Frenking, ... Dalton Transactions, 1226-1233, 2006 | 67 | 2006 |
| COSMOquick: A Novel Interface for Fast σ-Profile Composition and Its Application to COSMO-RS Solvent Screening Using Multiple Reference Solvents C Loschen, A Klamt Industrial & engineering chemistry research 51 (43), 14303-14308, 2012 | 65 | 2012 |
| Theoretical Studies of Inorganic Compounds. 19 1) Quantum Chemical Investigations of the Phosphane Complexes X3B‐PY3 and X3Al‐PY3 (X = H, F, Cl; Y = F … C Loschen, K Voigt, J Frunzke, A Diefenbach, M Diedenhofen, G Frenking Zeitschrift für anorganische und allgemeine Chemie 628 (6), 1294-1304, 2002 | 60 | 2002 |
| Performance of plane‐wave‐based LDA+U and GGA+U approaches to describe magnetic coupling in molecular systems P Rivero, C Loschen, IDPR Moreira, F Illas Journal of computational chemistry 30 (14), 2316-2326, 2009 | 51 | 2009 |
| Atomic and electronic structure of cerium oxide stepped model surfaces MM Branda, C Loschen, KM Neyman, F Illas The Journal of Physical Chemistry C 112 (45), 17643-17651, 2008 | 46 | 2008 |
| Extending the NHC Concept: C–C Coupling Catalysis by a PdII Carbene (rNHC) Complex with Remote Heteroatoms SK Schneider, P Roembke, GR Julius, C Loschen, HG Raubenheimer, ... European journal of inorganic chemistry 2005 (15), 2973-2977, 2005 | 46 | 2005 |
| COSMO-RS based predictions for the SAMPL6 logP challenge C Loschen, J Reinisch, A Klamt Journal of computer-aided molecular design 34 (4), 385-392, 2020 | 36 | 2020 |
| Computational screening of drug solvates C Loschen, A Klamt Pharmaceutical research 33, 2794-2804, 2016 | 36 | 2016 |
| Quantum chemical investigations and bonding analysis of iron complexes with mixed cyano and carbonyl ligands C Loschen, G Frenking Inorganic chemistry 43 (2), 778-784, 2004 | 35 | 2004 |
| Towards size-converged properties of model ceria nanoparticles: monitoring by adsorbed CO using DFT+ U approach A Migani, C Loschen, F Illas, KM Neyman Chemical Physics Letters 465 (1-3), 106-109, 2008 | 32 | 2008 |
