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Capillary Electrophoresis-Mass Spectrometry at Trial by Metabo-Ring: Effective Electrophoretic Mobility for Reproducible and Robust Compound Annotation Drouin, Nicolas; van Mever, Marlien; Zhang, Wei; Tobolkina, Elena; ... Ramautar, Rawi 2020
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Development of Frozen-Density Embedding theory methods with correlated wavefunctions Zech, Alexander 2019
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Anion-π and Cation-π Interactions on the Same Surface Fujisawa, Kaori; Beuchat, Cesar; Humbert-Droz, Marie; Wilson, Adam; ... Matile, Stefan 2014
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Revealing the Bonding Pattern from the Molecular Electron Density Using Single Exponential Decay Detector: An Orbital-Free Alternative to the Electron Localization Function De Silva, Piotr; Korchowiec, Jacek; Wesolowski, Tomasz Adam 2012
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Solving optimization-constrained differential equations with discontinuity points, with applications to atmospheric chemistry Landry, Chantal; Caboussat, Alexandre; Hairer, Ernst 2009
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Density Functional Study of a Helical Organic Cation Bas, Delphine; Morgantini, Pierre-Yves; Weber, Jacques; Wesolowski, Tomasz Adam 2003
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Progresses towards the advanced computational chemistry of increasingly complex systems Weber, Jacques 2000
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Recent developments in molecular graphics : visualization of chemical structures and properties Weber, Jacques; Morgantini, Pierre-Yves; Fluekiger, Peter Frank; Goursot, Annick 1991