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Showing 6 out of a total of 26 results for community: Chemistry.
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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
)
E versus Z isomers of Fischer aminocarbene complex [Mo(CO)4(PPh3){C(NHCy)(2-furyl)}] : Nsingle bondH⋯O versus Csingle bondH⋯O intramolecular hydrogen bonds
Landman, Marile
;
Conradie, Jeanet
(
Elsevier
,
2015-08
)
Structural and electronic features of triphenylstibine-functionalized Fischer carbene complexes of molybdenum(0)
Jansen van Rensburg, Armand
;
Landman, Marile
;
Van Rooyen, Petrus H.
;
Conradie, Marrigje M.
;
Erasmus, Elizabeth
;
Conradie, Jeanet
(
Elsevier
,
2017-09
)
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
)
Electrochemistry of a series of symmetric and asymmetric CpNiBr(NHC) complexes : probing the electrochemical environment due to push-pull effects
Malan, F.P. (Frederick)
;
Singleton, Eric
;
Conradie, Jeanet
;
Landman, Marile
(
Elsevier
,
2018-04
)
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
)
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Conradie, Jeanet (16)
Van Rooyen, Petrus H. (15)
Landman, Marile (12)
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Jansen van Rensburg, Armand (4)
Conradie, Marrigje Marianne (3)
Fraser, Roan (3)
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Malan, F.P. (Frederick) (3)
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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)
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