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Scholars12
Papers5
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Related Papers (4)
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Local Energy Decomposition of Intramolecular Interactions: The CovaLED Approach and Its Application to Molecular Recognition in Biomolecular Assemblies
errACS Central Science
IF10.4
err2026-05-27
err0
errOAAI
errMartina Colucci; Christoph Riplinger; Ahmet Altun; Frank Neese; Giovanni Bistoni
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ORCA Meets Python─The ORCA Python Interface OPI
errJournal of Chemical Theory and Computation
IF5.5
err2026-03-26
err0
errOAAI
errTim Tetenberg; Hagen Neugebauer; Christoph Plett; Nakul Santhosh; Markus Bursch; Christoph Riplinger
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A comprehensive approach to incorporating intermolecular dispersion into the openCOSMO-RS model. Part 2: Atomic polarizabilities
errChemical Engineering Science
IF4.3
err2025-07-09
err0
errOAAI
errDaria Grigorash; Simon Müller; Esther Heid; Frank Neese; Dimitrios G. Liakos; Christoph Riplinger; Miquel Garcia-Ratés; Patrice Paricaud; Erling H. Stenby; Irina Smirnova; Wei Yan
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Analytical First Derivatives of the SCF Energy for the Conductor-Like Polarizable Continuum Model With Non-Static Radii
errJOURNAL OF COMPUTATIONAL CHEMISTRY
IF4.8
err2025-04-24
err0
errOAAI
errWittmann, Lukas; Garcia-Rates, Miquel; Riplinger, Christoph
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