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Journal of applied toxicology : JAT, ISSN 0260-437X, 12/2019
Environmental exposure to arsenic (As) and fluoride (F) in the recent year has been increased because of excessive use of naturally contaminated ground water.... 
Journal Article
New Journal of Chemistry, ISSN 1144-0546, 2018, Volume 42, Issue 2, pp. 1121 - 1132
Journal Article
Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta), ISSN 1432-881X, 01/2019, Volume 138, Issue 1, p. 1
Journal Article
Theoretical Chemistry Accounts, ISSN 1432-881X, 1/2019, Volume 138, Issue 1, pp. 1 - 14
Methodical exploration is performed on Rh n (n = 9–20) clusters in the gas phase with all electron relativistic methods using density functional theory (DFT)... 
O–H activation | Theoretical and Computational Chemistry | Chemistry | DFT | Stability | Rhodium | Physical Chemistry | Atomic/Molecular Structure and Spectra | Inorganic Chemistry | Ruthenium-doped cluster | Organic Chemistry | MECHANISM | CHEMISTRY, PHYSICAL | TIGHT-BINDING | CO OXIDATION | MOLECULES | TRANSITION | CARBON-MONOXIDE | KINETICS | NITRIC-OXIDE | O-H activation
Journal Article
New Journal of Chemistry, ISSN 1144-0546, 1/2018, Volume 42, Issue 2, pp. 1121 - 1132
Systematic investigations on lowest energy NO adsorbing neutral and ionic Rh n ( n = 2-8) clusters in the gas phase are executed with an all electron... 
Journal Article
New Journal of Chemistry, ISSN 1144-0546, 01/2018, Volume 42, Issue 2, pp. 1121 - 1132
Systematic investigations on lowest energy NO adsorbing neutral and ionic Rhn (n = 2–8) clusters in the gas phase are executed with an all electron... 
Density of states | Deformation | Parameters | Molecular orbitals | Stability analysis | Density distribution | Conversion | Electronic structure | Rhodium | Adsorption | Clusters | Chemical bonds | Density functional theory | Nitrogen dioxide | Electron density | Adducts | Electrons
Journal Article
Computational and Theoretical Chemistry, ISSN 2210-271X, 09/2017, Volume 1115, pp. 284 - 298
In this study Rh Mg (n = 2–8) clusters are investigated to evaluate the structure, stability, electronic and magnetic properties using density functional... 
Force vector | DFT | Stability | Magnesium | Rhodium | CH3OH
Journal Article
The Journal of Physical Chemistry C, ISSN 1932-7447, 07/2018, Volume 122, Issue 29, pp. 16925 - 16939
A systematic density functional theory (DFT) investigation has been performed to understand adsorption phenomenon as well as the mechanism of hydrogen molecule... 
STORAGE | PALLADIUM | MATERIALS SCIENCE, MULTIDISCIPLINARY | CHEMISTRY, PHYSICAL | NANOSCIENCE & NANOTECHNOLOGY | H-2 ADSORPTION | RESOLUTION ELECTRON-MICROSCOPY | DISSOCIATION | 1ST-PRINCIPLES CALCULATIONS | SURFACE | NANOTUBES | SPILLOVER | CATALYSTS
Journal Article
RSC Advances, ISSN 2046-2069, 2016, Volume 6, Issue 9, pp. 6946 - 6959
A systematic investigation on the lowest energy electronic structure of neutral, cationic and anionic Rhn (n = 2–8) clusters in the gas phase is performed with... 
Journal Article
Computational and Theoretical Chemistry, ISSN 2210-271X, 09/2017, Volume 1115, p. 284
To access, purchase, authenticate, or subscribe to the full-text of this article, please visit this link: http://dx.doi.org/10.1016/j.comptc.2017.07.003... 
Analysis | Density functionals | Chemical properties | Magnesium | Magnetic properties
Journal Article
Computational and Theoretical Chemistry, ISSN 2210-271X, 02/2020, Volume 1172, p. 112664
Keppler type water-soluble ((ImH)[ -RuCl (Im) ], Im = imidazole), ICR (or KP418) exhibits promising anticancer activity against colorectal cancer. Interaction... 
ICR | Bimolecules | DFT | Ruthenium(III) anticancer drugs | Hydrogen bonding | NPA
Journal Article
New Journal of Chemistry, ISSN 1144-0546, 3/2015, Volume 39, Issue 4, pp. 2515 - 2522
Interaction of three ruthenium( ii ) complexes of the type [Ru(tmp) 2 (dpq)] 2+ ( I ), [Ru(tmp) 2 (dppz)] 2+ ( II ) and [Ru(tmp) 2 (11,12-dmdppz)] 2+ ( III )... 
Journal Article
COMPUTATIONAL AND THEORETICAL CHEMISTRY, ISSN 2210-271X, 09/2017, Volume 1115, pp. 284 - 298
Rhodium nano clusters exhibit unique electronic, magnetic and catalytic properties. Physical and chemical properties of rhodium cluster can be tuned by... 
Stability | HYDROGENATION | SIZE CONTROL | PHOTOELECTRON | CHEMISTRY, PHYSICAL | TRANSITION | NANOPARTICLES | DFT | Rhodium | IONIZATION-POTENTIALS | RHODIUM CLUSTERS | CH3OH | Force vector | DENDRIMER | Magnesium | MAGNETIC-PROPERTIES | METAL-CLUSTERS
Journal Article
Journal of Chemical Sciences, ISSN 0974-3626, 01/2018, Volume 130, Issue 1
Rhodium clusters are very important finite size materials because of their unique electronic, magnetic and catalytic properties. Tuning the physical and... 
aluminium | gallium | Rhodium | boron | methanol activation | OXIDATION | HYDROGENATION | BEHAVIOR | CHEMISTRY, MULTIDISCIPLINARY | MOLECULES | N=2-8 CLUSTERS | STABILITIES | RHODIUM NANOPARTICLES | SYSTEMS | SURFACE SEGREGATION | HYDROFORMYLATION
Journal Article
Journal of Chemical Sciences, ISSN 0974-3626, 1/2018, Volume 130, Issue 1, pp. 1 - 22
Rhodium clusters are very important finite size materials because of their unique electronic, magnetic and catalytic properties. Tuning the physical and... 
Chemistry | Rhodium | Chemistry/Food Science, general | methanol activation | aluminium | gallium | boron
Journal Article
Journal of Chemical Sciences, ISSN 0974-3626, 01/2018, Volume 130, Issue 1, p. 1
To access, purchase, authenticate, or subscribe to the full-text of this article, please visit this link: http://dx.doi.org/10.1007/s12039-017-1402-3 Graphical... 
Rhodium | Chemical properties | Research | Methanol | Magnetic properties
Journal Article
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