Zobrazeno 1 - 2
of 2
pro vyhledávání: '"Vinícius Wilian Cruzeiro"'
The routine use of electronic structure in many chemical simulation applications calls for efficient and easy ways to access electronic structure programs. We describe how the graphics processing unit (GPU) accelerated electronic structure program Te
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::06f1bb5d988ecfcb72fe1ff22783b1c6
https://doi.org/10.26434/chemrxiv-2022-0xnn3
https://doi.org/10.26434/chemrxiv-2022-0xnn3
Publikováno v:
Nature Communications. 13
The reactive uptake of N2O5 to aqueous aerosol is a major loss channel for nitrogen oxides in the troposphere. Despite its importance, a quantitative picture of the uptake mechanism is missing. Here we use molecular dynamics simulations with a data-d
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::2dc8ac6a2616f5c879942a9aee3aa196
https://doi.org/10.1038/s41467-022-28697-8
https://doi.org/10.1038/s41467-022-28697-8
