مقالات بحثية تمّ التفويض بإتاحتها للجميع - Jurgens de Langeمزيد من المعلومات
عدد المقالات البحثية غير المتاحة للجميع في أي موقع: 1
The CH··· HC interaction in biphenyl is a delocalized, molecular‐wide and entirely non‐classical interaction: Results from FALDI analysis
TG Bates, JH de Lange, I Cukrowski
Journal of Computational Chemistry 42 (10), 706-718, 2021
التفويضات: National Research Foundation, South Africa
عدد المقالات البحثية المتاحة للجميع في موقع ما: 11
Synthesis, structure and DFT study of asymmetrical NHC complexes of cymantrene derivatives and their application in the dehydrogenative dimerization reaction of thiols
R Fraser, PH van Rooyen, J de Lange, I Cukrowski, M Landman
Journal of Organometallic Chemistry 840, 11-22, 2017
التفويضات: National Research Foundation, South Africa
Toward deformation densities for intramolecular interactions without radical reference states using the fragment, atom, localized, delocalized, and interatomic (FALDI) charge …
JH de Lange, I Cukrowski
Journal of computational chemistry 38 (13), 981-997, 2017
التفويضات: National Research Foundation, South Africa
Origin of hydrocarbons stability from a computational perspective: a case study of ortho‐xylene isomers
MP Mitoraj, F Sagan, DW Szczepanik, JH de Lange, AL Ptaszek, ...
ChemPhysChem 21 (6), 494-502, 2020
التفويضات: National Research Foundation, South Africa
Quantifying individual (anti) bonding molecular orbitals’ contributions to chemical bonding
JH de Lange, DME van Niekerk, I Cukrowski
Physical Chemistry Chemical Physics 21 (37), 20988-20998, 2019
التفويضات: National Research Foundation, South Africa
FALDI‐based criterion for and the origin of an electron density bridge with an associated (3,–1) critical point on Bader's molecular graph
JH de Lange, DME van Niekerk, I Cukrowski
Journal of computational chemistry 39 (27), 2283-2299, 2018
التفويضات: National Research Foundation, South Africa
FALDI‐based decomposition of an atomic interaction line leads to 3D representation of the multicenter nature of interactions
JH de Lange, DME van Niekerk, I Cukrowski
Journal of Computational Chemistry 39 (16), 973-985, 2018
التفويضات: National Research Foundation, South Africa
Exploring fundamental differences between red-and blue-shifted intramolecular hydrogen bonds using FAMSEC, FALDI, IQA and QTAIM
I Cukrowski, DME van Niekerk, JH de Lange
Structural Chemistry 28, 1429-1444, 2017
التفويضات: National Research Foundation, South Africa
Exact and exclusive electron localization indices within QTAIM atomic basins
JH de Lange, I Cukrowski
Journal of Computational Chemistry 39 (20), 1517-1530, 2018
التفويضات: National Research Foundation, South Africa
Molecular Orbitals Support Energy-Stabilizing “Bonding” Nature of Bader’s Bond Paths
I Cukrowski, JH de Lange, DME van Niekerk, TG Bates
The Journal of Physical Chemistry A 124 (27), 5523-5533, 2020
التفويضات: National Research Foundation, South Africa
Gold (I) hydrides as proton acceptors in dihydrogen bond formation
I Cukrowski, JH de Lange, F Groenewald, HG Raubenheimer
ChemPhysChem 18 (16), 2288-2294, 2017
التفويضات: National Research Foundation, South Africa
Characterization of bonding modes in metal complexes through electron density cross‐sections
S de Beer, I Cukrowski, JH de Lange
Journal of Computational Chemistry 41 (32), 2695-2706, 2020
التفويضات: Council of Scientific and Industrial Research, India, National Research …
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