Journal of Energy Chemistry - Journal - Elsevier
journals.elsevier.com › journal-of-energy-chemistryJul 12, 2018 · The Journal of Energy Chemistry is a publication that mainly reports on creative researches and innovative applications of chemical conversions of fossil energy, carbon dioxide, electrochemical energy and hydrogen energy, as well as the conversions of biomass and solar energy related with chemical issues to promote academic exchanges in the field of energy chemistry and to accelerate the exploration, research and development of energy science and technologies.
Discovery of New Estrogen-Related Receptor α Agonists via a ...
pubs.acs.org › doi › 103 hours ago · Estrogen-related receptor α (ERRα), a member of nuclear receptors (NRs), plays a role in the regulation of cellular energy metabolism and is reported to be a novel potential target for type 2 diabetes therapy. To date, only a few agonists of ERRα have been identified to improve insulin sensitivity and decrease blood glucose levels. Herein, the discovery of novel potent agonists of ERRα ...
Energy Derivatives in Real-Space Diffusion Monte Carlo ...
pubs.acs.org › doi › 10Dec 20, 2021 · Journal of Chemical Physics (2016), 144 (19), 194105/1-194105/11 CODEN: JCPSA6; ISSN: 0021-9606. ( American Institute of Physics ) We present a simple and general formalism to compute efficiently the derivs. of a multi-determinant Jastrow-Slater wave function, the local energy, the interat. forces, and similar quantities needed in quantum Monte Carlo.
Incorporation of the Fermi–Amaldi Term into Direct Energy ...
pubs.acs.org › doi › 10Jan 03, 2022 · In direct energy Kohn–Sham (DEKS) theory, the density functional theory electronic energy equals the sum of occupied orbital energies, obtained from Kohn–Sham-like orbital equations involving a shifted Hartree exchange–correlation potential, which must be approximated. In the present study, the Fermi–Amaldi term is incorporated into approximate DEKS calculations, introducing the ...
Review of Chemical Energy Storage | Journal of Chemical Education
pubs.acs.org › doi › 10Aug 05, 2015 · The new energy economy is rife with challenges that are fundamentally chemical. Chemical Energy Storage is a monograph edited by an inorganic chemist in the Fritz Haber Institute of the Max Planck Gesellschaft in Berlin that takes a broad view of the subject. The contributors Robert Schlögl has chosen are all European and, with the exception of 7 of the 45, German.