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Dalton Transactions (Cambridge, England : 2003)|May 22, 2018
Towards the rational design of the Py5-ligand framework for ruthenium-based water oxidation catalystsMauro Schilling, Michael Böhler, Sandra LuberJournal of Chemical Theory and Computation|March 26, 2020
Zooming in on the O-O Bond Formation-An Ab Initio Molecular Dynamics Study Applying Enhanced Sampling TechniquesMauro Schilling, Richard A Cunha, Sandra LuberChemsuschem|September 24, 2017
Discovery of Open Cubane Core Structures for Biomimetic LnCo3 (OR)4 Water Oxidation CatalystsMauro Schilling, Florian H Hodel, Sandra LuberChemistry (Weinheim an Der Bergstrasse, Germany)|November 13, 2009
Understanding the signatures of secondary-structure elements in proteins with Raman optical activity spectroscopyChristoph R Jacob, Sandra Luber, Markus ReiherJournal of Chemical Theory and Computation|May 1, 2023
Magnetic Interactions in a [Co(II)3Er(III)(OR)4] Model Cubane through Forefront Multiconfigurational MethodsRuocheng Han, Sandra Luber, Giovanni Li ManniJournal of Chemical Theory and Computation|January 4, 2021
A Machine Learning Approach for MP2 Correlation Energies and Its Application to Organic CompoundsRuocheng Han, Mauricio Rodríguez-Mayorga, Sandra LuberThe Journal of Physical Chemistry. B|April 14, 2009
Analysis of secondary structure effects on the IR and Raman spectra of polypeptides in terms of localized vibrationsChristoph R Jacob, Sandra Luber, Markus ReiherJournal of Chemical Theory and Computation|June 14, 2017
Exploring Solvation Effects in Ligand-Exchange Reactions via Static and Dynamic MethodsFlorian H Hodel, Peter Deglmann, Sandra LuberOptics Express|August 13, 2025
Re-examination of the role of displacement and photon catalysis operation in continuous variable measurement device-independent quantum key distributionChandan Kumar, ArvindHeliyon|February 5, 2025
Dynamics between the obstacles of business environment and firm performance in Bangladesh: Survey-based empirical insights using ML algorithmsChandan Kumar RoyPageof 72