All-body concept and quantified limits of cooperativity and related effects in homodromic cyclic water clusters from a molecular-wide and electron density-based approach
Cukrowski, Ignacy, Zaaiman, Stéfan, Hussain, Shahnawaz, de Lange, Jurgens H
Published in Journal of computational chemistry (27.08.2024)
Published in Journal of computational chemistry (27.08.2024)
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Journal Article
Origin of Hydrocarbons Stability from a Computational Perspective: A Case Study of Ortho‐Xylene Isomers
Mitoraj, Mariusz P., Sagan, Filip, Szczepanik, Dariusz W., Lange, Jurgens H., Ptaszek, Aleksandra L., Niekerk, Daniel M. E., Cukrowski, Ignacy
Published in Chemphyschem (17.03.2020)
Published in Chemphyschem (17.03.2020)
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Journal Article
Physical nature of interactions in Zn(II) complexes 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
Cukrowski, Ignacy, de Lange, Jurgens H, Mitoraj, Mariusz
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (23.01.2014)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (23.01.2014)
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Journal Article
Characterization of bonding modes in metal complexes through electron density cross‐sections
Beer, Shane, Cukrowski, Ignacy, Lange, Jurgens H.
Published in Journal of computational chemistry (15.12.2020)
Published in Journal of computational chemistry (15.12.2020)
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Journal Article
Physical Nature of Interactions in ZnII Complexes 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
Cukrowski, Ignacy, de Lange, Jurgens H, Mitoraj, Mariusz
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (23.01.2014)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (23.01.2014)
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Journal Article
Exact and exclusive electron localization indices within QTAIM atomic basins
de Lange, Jurgens H., Cukrowski, Ignacy
Published in Journal of computational chemistry (30.07.2018)
Published in Journal of computational chemistry (30.07.2018)
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Journal Article
Gold(I) Hydrides as Proton Acceptors in Dihydrogen Bond Formation
Cukrowski, Ignacy, de Lange, Jurgens H., Groenewald, Ferdinand, Raubenheimer, Helgard G.
Published in Chemphyschem (18.08.2017)
Published in Chemphyschem (18.08.2017)
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Journal Article
Comparison of DAFH and FALDI-like approaches
Cooper, David L., de Lange, Jurgens H., Ponec, Robert
Published in Theoretical chemistry accounts (01.12.2020)
Published in Theoretical chemistry accounts (01.12.2020)
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Journal Article
Bone sarcomas: ESMO Clinical Practice Guidelines for diagnosis, treatment and follow-up
Hogendoorn, P. C. W., Athanasou, N., Bielack, S., De Alava, E., Tos, A. P. Dei, Ferrari, S., Gelderblom, H., Grimer, R., Hall, K. Sundby, Hassan, B., Hogendoorn, P. C. W., Jurgens, H., Paulussen, M., Rozeman, L., Taminiau, A.H.M., Whelan, J., Vanel, D.
Published in Annals of oncology (01.05.2010)
Published in Annals of oncology (01.05.2010)
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Journal Article
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
Cukrowski, Ignacy, de Lange, Jurgens H., Adeyinka, Adedapo S., Mangondo, Paidamwoyo
Published in Computational and theoretical chemistry (01.02.2015)
Published in Computational and theoretical chemistry (01.02.2015)
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Journal Article
Molecular Orbitals Support Energy-Stabilizing “Bonding” Nature of Bader’s Bond Paths
Cukrowski, Ignacy, de Lange, Jurgens H, van Niekerk, Daniël M. E, Bates, Thomas G
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (09.07.2020)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (09.07.2020)
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Journal Article
Cover Feature: Origin of Hydrocarbons Stability from a Computational Perspective: A Case Study of Ortho‐Xylene Isomers (ChemPhysChem 6/2020)
Mitoraj, Mariusz P., Sagan, Filip, Szczepanik, Dariusz W., Lange, Jurgens H., Ptaszek, Aleksandra L., Niekerk, Daniel M. E., Cukrowski, Ignacy
Published in Chemphyschem (17.03.2020)
Published in Chemphyschem (17.03.2020)
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Journal Article