Nonlinear optical, IR and orbital properties of Ni doped MgO nanoclusters: A DFT investigation
Sign Up to like & getrecommendations! Published in 2018 at "Computational and Theoretical Chemistry"
DOI: 10.1016/j.comptc.2018.06.003
Abstract: Abstract In the present study, density functional theory calculations have been performed to explore the changes in the electronic properties of Mg12O12 nanocluster through exohedral doping with nickel. The changes in zero-point Energies (ΔZPE), thermal… read more here.
Keywords: mgo; orbital properties; doped mgo; optical orbital ... See more keywords
Anomalous Melting Point of Multicharge Ionic Liquids: Structural, Electrostatic, and Orbital Properties of [Ln(NO3)6]3- (Ln = Ce, Pr) Anions.
Sign Up to like & getrecommendations! Published in 2020 at "Inorganic chemistry"
DOI: 10.1021/acs.inorgchem.0c02078
Abstract: Salts composed of multicharged cations/anions usually exhibit a large lattice energy and strong Coulomb force, which results in high melting points. However, an increasing number of highly charged ionic liquids exceed expectations based on conventional… read more here.
Keywords: orbital properties; melting point; electrostatic orbital; no3 anions ... See more keywords
Baryonic impact on the dark matter orbital properties of Milky Way-sized haloes
Sign Up to like & getrecommendations! Published in 2017 at "Monthly Notices of the Royal Astronomical Society"
DOI: 10.1093/mnras/stw3387
Abstract: We study the orbital properties of dark matter haloes by combining a spectral method and cosmological simulations of Milky Way-sized galaxies. We compare the dynamics and orbits of individual dark matter particles from both hydrodynamic… read more here.
Keywords: orbital properties; way sized; matter; dark matter ... See more keywords