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Journal of Molecular Graphics & Modelling
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March 24, 2023
DFT study of UV-vis-properties of thiophene-containing Cu(β-diketonato)<sub>2</sub> - Application for DSSC
Jeanet Conradie
Journal of Molecular Graphics & Modelling
|
November 24, 2022
Adsorption free energy of phenol onto coronene: Solvent and temperature effects
Alhadji Malloum, Jeanet Conradie
Inorganic Chemistry
|
April 16, 2011
Correlation between the FeNO angle and d-p mixing in {FeNO}7 complexes
Jeanet Conradie, Abhik Ghosh
Inorganic Chemistry
|
December 10, 2009
Electronic structure of an iron-porphyrin-nitrene complex
Jeanet Conradie, Abhik Ghosh
The Journal of Physical Chemistry. B
|
October 16, 2007
DFT calculations on the spin-crossover complex Fe(salen)(NO): a quest for the best functional
Jeanet Conradie, Abhik Ghosh
Inorganic Chemistry
|
April 16, 2019
Stereochemistry of Transition-Metal Dinitrosyl Complexes. A Molecular Orbital Rationale for the Attracto and Repulso Conformations
Abhik Ghosh, Jeanet Conradie
Data in Brief
|
March 22, 2022
Dimethylsulfoxide (DMSO) clusters dataset: DFT relative energies, non-covalent interactions, and cartesian coordinates
Alhadji Malloum, Jeanet Conradie
Journal of Molecular Graphics & Modelling
|
August 15, 2022
Molecular simulations of the adsorption of aniline from waste-water
Alhadji Malloum, Jeanet Conradie
ACS Omega
|
February 13, 2023
The Perfluoro Cage Effect: A Search for Electron-Encapsulating Molecules
Abhik Ghosh, Jeanet Conradie
Journal of Molecular Graphics & Modelling
|
March 10, 2024
DFT study of the spectroscopic behaviour of different iron(II)-terpyridine derivatives with application in DSSCs
Evangelia Athanasopoulos, Jeanet Conradie
Page
of 19
Search research articles
Search
Showing results (11-20 of 188) with videos related to
Sort By:
Page
of 19
Journal of Molecular Graphics & Modelling
|
March 24, 2023
DFT study of UV-vis-properties of thiophene-containing Cu(β-diketonato)<sub>2</sub> - Application for DSSC
Jeanet Conradie
Journal of Molecular Graphics & Modelling
|
November 24, 2022
Adsorption free energy of phenol onto coronene: Solvent and temperature effects
Alhadji Malloum, Jeanet Conradie
Inorganic Chemistry
|
April 16, 2011
Correlation between the FeNO angle and d-p mixing in {FeNO}7 complexes
Jeanet Conradie, Abhik Ghosh
Inorganic Chemistry
|
December 10, 2009
Electronic structure of an iron-porphyrin-nitrene complex
Jeanet Conradie, Abhik Ghosh
The Journal of Physical Chemistry. B
|
October 16, 2007
DFT calculations on the spin-crossover complex Fe(salen)(NO): a quest for the best functional
Jeanet Conradie, Abhik Ghosh
Inorganic Chemistry
|
April 16, 2019
Stereochemistry of Transition-Metal Dinitrosyl Complexes. A Molecular Orbital Rationale for the Attracto and Repulso Conformations
Abhik Ghosh, Jeanet Conradie
Data in Brief
|
March 22, 2022
Dimethylsulfoxide (DMSO) clusters dataset: DFT relative energies, non-covalent interactions, and cartesian coordinates
Alhadji Malloum, Jeanet Conradie
Journal of Molecular Graphics & Modelling
|
August 15, 2022
Molecular simulations of the adsorption of aniline from waste-water
Alhadji Malloum, Jeanet Conradie
ACS Omega
|
February 13, 2023
The Perfluoro Cage Effect: A Search for Electron-Encapsulating Molecules
Abhik Ghosh, Jeanet Conradie
Journal of Molecular Graphics & Modelling
|
March 10, 2024
DFT study of the spectroscopic behaviour of different iron(II)-terpyridine derivatives with application in DSSCs
Evangelia Athanasopoulos, Jeanet Conradie
Page
of 19