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Showing 6 out of a total of 26 results for collection: Research Articles (Chemistry).
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X-ray diffraction and QTAIM calculations of the non-covalent intermolecular fluorine-fluorine interactions in tris(trifluoroacetylacetonato)-manganese(III)
Gostynski, Roxanne
;
Van Rooyen, Petrus H.
;
Conradie, Jeanet
(
Elsevier
,
2020-02
)
A density functional theory- and atoms in molecules-based study of NiNTA and NiNTPA complexes toward physical properties controlling their stability. A new method of computing a formation constant
Cukrowski, Ignacy
;
Govender, Krishna Kuben
(
American Chemical Society
,
2010-08
)
Conformational study of [Cu(CF3COCHCO(C4H3X))2] (X = O or S), a combined experimental and DFT study
Chiyindiko, Emmie
;
Malan, F.P. (Frederick)
;
Langner, Ernst H.G.
;
Conradie, Jeanet
(
Elsevier
,
2019-12
)
Rhodium-rhodium interactions in [Rh(β-diketonato)(CO)2] complexes
Conradie, Marrigje Marianne
;
Van Rooyen, Petrus H.
;
Pretorius, Carla
;
Roodt, Andreas
;
Conradie Jeanet
(
Elsevier
,
2017-09
)
Molybdenum(0) Fischer ethoxycarbene complexes : synthesis, x-ray crystal structures and DFT study
Jansen van Rensburg, Armand
;
Landman, Marile
;
Van Rooyen, Petrus H.
;
Conradie, Marrigje M.
;
Conradie, Jeanet
(
Elsevier
,
2017-01
)
Molecular insight on the non-covalent interactions between carbapenems and L,D-transpeptidase 2 from Mycobacterium tuberculosis: ONIOM study
Ntombela, Thandokuhle
;
Fakhar, Zeynab
;
Ibeji, Collins U.
;
Govender, Thavendran
;
Maguire, Glenn E.M.
;
Lamichhane, Gyanu
;
Kruger, Hendrik G.
;
Honarparvar, Bahareh
(
Springer
,
2018-06
)
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Conradie, Jeanet (16)
Van Rooyen, Petrus H. (15)
Landman, Marile (12)
Conradie, Marrigje M. (6)
Jansen van Rensburg, Armand (4)
Conradie, Marrigje Marianne (3)
Fraser, Roan (3)
Gostynski, Roxanne (3)
Malan, F.P. (Frederick) (3)
Cukrowski, Ignacy (2)
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Density functional theory (DFT) (26)
Fischer carbene (9)
Quantum theory of atoms in molecules (QTAIM) (6)
Natural bond orbital (NBO) (5)
Structure (5)
Electrochemistry (4)
Rhodium (4)
Tungsten (4)
b-Diketone (3)
Molybdenum (3)
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2010 - 2020 (26)
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