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Fac and mer dppe-substituted Fischer carbene complexes of chromium : X-ray, DFT and electrochemical study
Landman, Marile
;
Liu, Renyuan
;
Fraser, Roan
;
Van Rooyen, Petrus H.
;
Conradie, Jeanet
(
Elsevier
,
2014-02
)
Density functional theory and isodesmic reaction based prediction of four stepwise protonation constants, as log KH(n), for nitrilotriacetic acid. The importance of a kind and protonated form of a reference molecule used
Cukrowski, Ignacy
;
Govender, Krishna Kuben
(
American Chemical Society
,
2010-02
)
Electrochemistry of Fischer alkoxycarbene complexes of chromium : the use of Density Functional Theory to predict and understand oxidation and reduction potentials
Landman, Marile
;
Lui, Renyuan
;
Van Rooyen, Petrus H.
;
Conradie, Jeanet
(
Elsevier
,
2013-12
)
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
)
A density functional theory and quantum theory of atoms-in-molecules analysis of the stability of Ni(II) complexes of some amino alcohol ligands
Varadwaj, Pradeep R.
;
Cukrowski, Ignacy
;
Perry, Christopher B.
;
Marques, Helder M.
(
American Chemical Society
,
2011-05
)
A computational study of the succinimide derivative surfactant
Kovalchuk, K.
;
Landman, Marile
;
Masalova, I.
(
Taylor & Francis
,
2013
)
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Author
Cukrowski, Ignacy (3)
Landman, Marile (3)
Conradie, Jeanet (2)
Govender, Krishna Kuben (2)
Van Rooyen, Petrus H. (2)
Fraser, Roan (1)
Kovalchuk, K. (1)
Liu, Renyuan (1)
Lui, Renyuan (1)
Marques, Helder M. (1)
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Density functionals (6)
Chromium compounds (2)
Density functional theory (DFT) (2)
DFT calculations (2)
Amino alcohols -- Stability (1)
Aqueous solutions (1)
Carbenes (Methylene compounds) (1)
Carboxylic acids (1)
Chelating effect (1)
Chromium compounds -- Oxidation (1)
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