Jurgens H. de Lange

Physical Nature of Interactions in Zn^IIComplexes with 2,2′-Bipyridyl: Quantum Theory of Atoms in Molecules (QTAIM), Interacting Quantum Atoms (IQA), Noncovalent Interactions (NCI), and Extended Transition State Coupled with Natural Orbitals for Chemical Valence (ETS-NOCV) Comparative Studies

Ignacy Cukrowski, Jurgens H. de Lange, Mariusz P. Mitoraj · The Journal of Physical Chemistry A · 2013 · 89 citations · Full text

Engineering, Theoretical Inorganic Chemistry, Chemistry +18

Evaluating common QTAIM and NCI interpretations of the electron density concentration through IQA interaction energies and 1D cross-sections of the electron and deformation density distributions

Ignacy Cukrowski, Jurgens H. de Lange, Adedapo S. Adeyinka et al. · Computational and Theoretical Chemistry · 2014 · 73 citations

Electron Density, Electrical Engineering, Engineering +11

Adsorption of antiretroviral drugs, efavirenz and nevirapine from aqueous solution by graphene wool: Kinetic, equilibrium, thermodynamic and computational studies

Adedapo O. Adeola, Jurgens H. de Lange, Patricia B.C. Forbes · Applied Surface Science Advances · 2021 · 48 citations · Full text

Origin of Hydrocarbons Stability from a Computational Perspective: A Case Study of Ortho‐Xylene Isomers

Mariusz P. Mitoraj, Filip Sagan, Dariusz W. Szczepanik et al. · ChemPhysChem · 2020 · 21 citations · Full text

Engineering, Modern Bonding Descriptors, Organic Chemistry +18

Synthesis, structure and DFT study of asymmetrical NHC complexes of cymantrene derivatives and their application in the dehydrogenative dimerization reaction of thiols

Roan Fraser, Petrus H. Van Rooyen, Jurgens H. de Lange et al. · Journal of Organometallic Chemistry · 2017 · 18 citations

Heterocyclic, Cymantrene Derivatives, Molecular Complex +4