Comparative, fully relativistic (FR), scalar relativistic (SR) and non-relativistic (NR) DFT calculations attribute about 30% of the mercury-battery voltage to relativity. The obtained percentage is smaller than for the lead-acid battery, but not negligible.
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http://dx.doi.org/10.1039/c1cp21738k | DOI Listing |
ScientificWorldJournal
October 2022
Universidad Nacional de Colombia, Bogotá, Colombia.
In this paper, we obtain the approximate value of 42.9815 arcsec/century for Mercury's perihelion precession by solving both numerically and analytically the nonlinear ordinary differential equation derived from the geodesic equation in Einstein's Theory of Relativity. We also compare our result with known results, and we illustrate graphically the way Mercury's perihelion moves.
View Article and Find Full Text PDFNat Commun
January 2018
Department of Earth, Atmospheric and Planetary Sciences, Massachusetts Institute of Technology, Cambridge, MA, 02139, USA.
The NASA MESSENGER mission explored the innermost planet of the solar system and obtained a rich data set of range measurements for the determination of Mercury's ephemeris. Here we use these precise data collected over 7 years to estimate parameters related to general relativity and the evolution of the Sun. These results confirm the validity of the strong equivalence principle with a significantly refined uncertainty of the Nordtvedt parameter η = (-6.
View Article and Find Full Text PDFAngew Chem Int Ed Engl
September 2016
Department of Chemistry, University of Louisville, 2320 South Brook Street, Louisville, KY, 40292, USA.
The methylation of Hg(II) (SCH3 )2 by corrinoid-based methyl donors proceeds in a concerted manner through a single transition state by transfer of a methyl radical, in contrast to previously proposed reaction mechanisms. This reaction mechanism is a consequence of relativistic effects that lower the energies of the mercury 6p1/2 and 6p3/2 orbitals, making them energetically accessible for chemical bonding. In the absence of spin-orbit coupling, the predicted reaction mechanism is qualitatively different.
View Article and Find Full Text PDFPhys Chem Chem Phys
January 2016
Instituto de Química, Universidad de Antioquia UdeA, Calle 70 No. 52-21, Medellín, Colombia.
Hartree-Fock (HF) and second order perturbation theory (MP2) calculations within the scalar and full relativistic frames were carried out in order to determine the equilibrium geometries and interaction energies between cationic methylmercury (CH3Hg(+)) and up to three water molecules. A total of nine structures were obtained. Bonding properties were analyzed using the Quantum Theory of Atoms In Molecules (QTAIM).
View Article and Find Full Text PDFEnviron Sci Pollut Res Int
August 2015
Institute of Plateau Meteorology, CMA, Chengdu, 610000, People's Republic of China.
This study aims at qualifying air pollutants and environmental impacts generated from coal-based power plants and providing useful information for decision makers on the management of coal-based power plants in China. Results showed that approximately 9.03, 54.
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