Bulk and surface energetics of crystalline lithium hydride: Benchmarks from quantum Monte Carlo and quantum chemistry

Autor: Dario Alfè, Frederick R. Manby, S. J. Nolan, S. J. Binnie, Neil L. Allan, Neil Drummond, M. J. Gillan

We show how accurate benchmark values of the surface formation energy of crystalline lithium hydride can be computed by the complementary techniques of quantum Monte Carlo (QMC) and wave-function-based molecular quantum chemistry. To demonstrate the

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::39c32a900268a6564a2b5c0c87ea242a
https://doi.org/10.1103/PhysRevB.82.165431

Theoretical quantum model of two-dimensional propagating plexcitons.

Autor: Mosquera, Martín A., Marmolejo-Tejada, Juan M., Borys, Nicholas J.

Publikováno v: Journal of Chemical Physics; 9/28/2022, Vol. 157 Issue 12, p1-12, 12p

ON-OFF Switching of Photocatalytic Hydrogen Evolution by Built-in Pt-Nitrogen-Carbon Reticular Heterojunctions.

Autor: Cognigni L; Department of Chemical Sciences, University of Padova, Via Marzolo 1, Padova, Italy., Gobbato T; Department of Chemical Sciences, University of Padova, Via Marzolo 1, Padova, Italy., Benazzi E; Department of Chemical Sciences, University of Padova, Via Marzolo 1, Padova, Italy., Paoloni L; Department of Physics and Astronomy, University of Padova, Padova, Via Marzolo 8, 35131, Padova, Italy., Vizio BD; Department of Chemical Sciences, University of Padova, Via Marzolo 1, Padova, Italy., Bonetto R; Department of Chemical Sciences, University of Padova, Via Marzolo 1, Padova, Italy., Rigodanza F; Department of Chemical Sciences, University of Padova, Via Marzolo 1, Padova, Italy., Bonetto A; Department of Environmental Sciences, Informatics and Statistics, University Ca' Foscari Venice, Via Torino 155, Mestre, Venice, Italy., Agnoli S; Department of Chemical Sciences, University of Padova, Via Marzolo 1, Padova, Italy., Bonchio M; Department of Chemical Sciences, University of Padova, Via Marzolo 1, Padova, Italy.; Interuniversity Consortium on Materials Science and Technology, INSTM UdR Padova and Institute of Membrane Technology, ITM-CNR UoS Padova, Via Marzolo 1, Padova, Italy., Costa P; Department of Chemical Sciences, University of Padova, Via Marzolo 1, Padova, Italy.

Publikováno v: ChemSusChem [ChemSusChem] 2024 Oct 18, pp. e202401977. Date of Electronic Publication: 2024 Oct 18.

The impact of the Neoglacial and other environmental changes on the raised beaches of Joinville Island, Antarctica.

Autor: THEILEN, BRITTANY M., SIMMS, ALEXANDER R., DEWITT, REGINA, ZURBUCHEN, JULIE, GARCIA, CHRISTOPHER, GERNANT, CAMERON

Publikováno v: Antarctic Science; Dec2023, Vol. 35 Issue 6, p418-437, 20p

Geomorphology of Horseshoe Island, Marguerite Bay, Antarctica.

Autor: Yıldırım, Cengiz¹ (AUTHOR) cyildirim@itu.edu.tr

Publikováno v: Journal of Maps. Sep2020, Vol. 16 Issue 2, p56-67. 12p.