Zobrazeno 1 - 10
of 2 088
pro vyhledávání: '"Maurer R"'
Autor:
Sohail, B., Blowey, P. J., Rochford, L. A., Ryan, P. T. P., Duncan, D. A., Lee, T. -L., Starrs, P., Costantini, G., Woodruff, D. P., Maurer, R. J.
The results are presented of a detailed combined experimental and theoretical investigation of the influence of coadsorbed electron-donating alkali atoms and the prototypical electron acceptor molecule TCNQ (7,7,8,8-tetracyanoquinodimethane) on the A
Externí odkaz:
http://arxiv.org/abs/2208.10849
In part I, we presented the ring-polymer instanton with explicit friction (RPI-EF) method and showed how it can be connected to the \textit{ab initio} electronic friction formalism. This framework allows the calculation of tunneling reaction rates th
Externí odkaz:
http://arxiv.org/abs/2202.08681
Reactions involving adsorbates on metallic surfaces and impurities in bulk metals are ubiquitous in a wide range of technological applications. The theoretical modelling of such reactions presents a formidable challenge for theory because nuclear qua
Externí odkaz:
http://arxiv.org/abs/2202.08668
Autor:
Jakobsen, P., Ferruit, P., de Oliveira, C. Alves, Arribas, S., Bagnasco, G., Barho, R., Beck, T. L., Birkmann, S., Böker, T., Bunker, A. J., Charlot, S., de Jong, P., de Marchi, G., Ehrenwinkler, R., Falcolini, M., Fels, R., Franx, M., Franz, D., Funke, M., Giardino, G., Gnata, X., Holota, W., Honnen, K., Jensen, P. L., Jentsch, M., Johnson, T., Jollet, D., Karl, H., Kling, G., Köhler, J., Kolm, M. G., Kumari, N., Lander, M. E., Lemke, R., López-Caniego, M., Lützgendorf, N., Maiolino, R., Manjavacas, E., Marston, A., Maschmann, M., Maurer, R., Messerschmidt, B., Moseley, S. H., Mosner, P., Mott, D. B., Muzerolle, J., Pirzkal, N., Pittet, J. F., Plitzke, A., Posselt, W., Rapp, B., Rauscher, B. J., Rawle, T., Rix, H. W., Rödel, A., Rumler, P., Sabbi, E., Salvignol, J. C., Schmid, T., Sirianni, M., Smith, C., Strada, P., Plate, M. te, Valenti, J., Wettemann, T., Wiehe, T., Wiesmayer, M., Willott, C. J., Wright, R., Zeidler, P., Zincke, C.
Publikováno v:
A&A 661, A80 (2022)
We provide an overview of the design and capabilities of the near-infrared spectrograph (NIRSpec) onboard the James Webb Space Telescope. NIRSpec is designed to be capable of carrying out low-resolution ($R\!=30\!-330$) prism spectroscopy over the wa
Externí odkaz:
http://arxiv.org/abs/2202.03305
The emergence of machine learning methods in quantum chemistry provides new methods to revisit an old problem: Can the predictive accuracy of electronic structure calculations be decoupled from their numerical bottlenecks? Previous attempts to answer
Externí odkaz:
http://arxiv.org/abs/2005.06979
Unifying machine learning and quantum chemistry -- a deep neural network for molecular wavefunctions
Machine learning advances chemistry and materials science by enabling large-scale exploration of chemical space based on quantum chemical calculations. While these models supply fast and accurate predictions of atomistic chemical properties, they do
Externí odkaz:
http://arxiv.org/abs/1906.10033
Akademický článek
Tento výsledek nelze pro nepřihlášené uživatele zobrazit.
K zobrazení výsledku je třeba se přihlásit.
K zobrazení výsledku je třeba se přihlásit.