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Disambiguation of "Popelier, Paul L. A."

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Hydrogen-Bond Accepting Properties of New Heteroaromatic Ring Chemical Motifs: A Theoretical Study.

, , , and . J. Chem. Inf. Model., 56 (2): 322-334 (2016)

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ennur A rba l

Christian A L Rasenack

Christian A L Rasenack

Paul L Geiß

Daniel L A Kaiser

 

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Prediction of conformationally dependent atomic multipole moments in carbohydrates., and . J. Comput. Chem., 36 (32): 2361-2373 (2015)Quantum Isostere Database: A Web-Based Tool Using Quantum Chemical Topology To Predict Bioisosteric Replacements for Drug Design., , and . J. Chem. Inf. Model., 49 (6): 1497-1513 (2009)Visualization and integration of quantum topological atoms by spatial discretization into finite elements., and . J. Comput. Chem., 28 (16): 2602-2617 (2007)A fully analytical integration of properties over the 3D volume of the β sphere in topological atoms.. J. Comput. Chem., 39 (10): 604-613 (2018)Quantitative structure-activity relationships of mutagenic activity from quantum topological descriptors: triazenes and halogenated hydroxyfuranones (mutagen-X) derivatives., , and . J. Comput. Aided Mol. Des., 18 (11): 709-718 (2004)Long range behavior of high-rank topological multipole moments., and . J. Comput. Chem., 28 (4): 832-838 (2007)Atom-atom partitioning of total (super)molecular energy: The hidden terms of classical force fields., and . J. Comput. Chem., 28 (1): 292-301 (2007)Hydrogen-Bond Accepting Properties of New Heteroaromatic Ring Chemical Motifs: A Theoretical Study., , , and . J. Chem. Inf. Model., 56 (2): 322-334 (2016)Nine questions on energy decomposition analysis., , , , , , , , , and 20 other author(s). J. Comput. Chem., 40 (26): 2248-2283 (2019)FEREBUS: Highly parallelized engine for kriging training., , , and . J. Comput. Chem., 37 (29): 2606-2616 (2016)