Probing ultrafast \pi\pi*/n\pi* internal conversion in organic chromophores via K-edge resonant absorption

Autor: Wolf, T. J. A., Myhre, R. H., Cryan, J. P., Coriani, S., Squibb, R. J., Battistoni, A., Berrah, N., Bostedt, C., Bucksbaum, P., Coslovich, G., Feifel, R., Gaffney, K. J., Grilj, J., Martinez, T. J., Miyabe, S., Moeller, S. P., Mucke, M., Natan, A., Obaid, R., Osipov, T., Plekan, O., Wang, S., Koch, H., Gühr, M.

Organic chromophores with heteroatoms possess an important excited state relaxation channel from an optically allowed {\pi}{\pi}* to a dark n{\pi}*state. We exploit the element and site specificity of soft x-ray absorption spectroscopy to selectively

Externí odkaz: http://arxiv.org/abs/1610.08498

Probing Ultrafast ππ*/Nπ* Internal Conversion in Organic Chromophores via K-edge Resonant Absorption.

Autor: Wolf, T. J. A., Myhre, R. H., Cryan, J. P., Coriani, S., Squibb, R. J., Battistoni, A., Berrah, N., Bostedt, C., Bucksbaum, P., Coslovich, G., Feifel, R., Gaffney, K. J., Grilj, J., Martinez, T. J., Miyabe, S., Moeller, S. P., Mucke, M., Natan, A., Obaid, R., Osipov, T.

Publikováno v: Nature Communications; Jun2017, Vol. 8 Issue 6, p1-7, 7p, 4 Graphs

E T1.0: An open source electronic structure program with emphasis on coupled cluster and multilevel methods

Autor: Tommaso Giovannini, Torsha Moitra, Sonia Coriani, Alexander C. Paul, Linda Goletto, Eirik F. Kjønstad, Alice Balbi, Henrik Koch, Tor S. Haugland, Andreas S. Skeidsvoll, Rolf H. Myhre, Marco Scavino, J. Andersen, Ida-Marie Høyvik, Åsmund H. Tveten, Sarai D. Folkestad, Anders Hutcheson

Publikováno v: Folkestad, S D, Kjønstad, E F, Myhre, R H, Andersen, J H, Balbi, A, Coriani, S, Giovannini, T, Goletto, L, Haugland, T S, Hutcheson, A, Høyvik, I-M, Moitra, T, Paul, A C, Scavino, M, Skeidsvoll, A S, Tveten, Å H & Koch, H 2020, ' e T 1.0: An open source electronic structure program with emphasis on coupled cluster and multilevel methods ', Journal of Chemical Physics, vol. 152, no. 18, 184103 . https://doi.org/10.1063/5.0004713
The Journal of Chemical Physics

The eT program is an open source electronic structure package with emphasis on coupled cluster and multilevel methods. It includes efficient spin adapted implementations of ground and excited singlet states, as well as equation of motion oscillator s

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::caff58d21089671eba829cfc38250319
https://hdl.handle.net/11384/94370

Probing ultrafast ππ*/nπ* internal conversion in organic chromophores via K-edge resonant absorption

Autor: C. Bostedt, S. Miyabe, Shan X. Wang, O. Plekan, Stefan Moeller, Richard J. Squibb, P. H. Bucksbaum, Henrik Koch, Sonia Coriani, Timur Osipov, Rolf H. Myhre, Kelly J. Gaffney, Andrea Battistoni, R. Feifel, Markus Gühr, Razib Obaid, Thomas J. A. Wolf, Jakob Grilj, Melanie Mucke, Todd J. Martínez, Nora Berrah, Adi Natan, Giacomo Coslovich, James P. Cryan

Publikováno v: Wolf, T J A, Myhre, R H, Cryan, J P, Coriani, S, Squibb, R J, Battistoni, A, Berrah, N, Bostedt, C, Bucksbaum, P, Coslovich, G, Feifel, R, Gaffney, K J, Grilj, J, Martinez, T J, Miyabe, S, Moeller, S P, Mucke, M, Natan, A, Obaid, R, Osipov, T, Plekan, O, Wang, S, Koch, H & Güehr, M 2017, ' Probing ultrafast ππ*/nπ* internal conversion in organic chromophores via K-edge resonant absorption ', Nature Communications, vol. 8, no. 1, 29 . https://doi.org/10.1038/s41467-017-00069-7
Nature Communications
Wolf, T J A, Myhre, R H, Cryan, J P, Coriani, S, Squibb, R J, Battistoni, A, Berrah, N, Bostedt, C, Bucksbaum, P, Coslovich, G, Feifel, R, Gaffney, K J, Grilj, J, Martinez, T J, Miyabe, S, Moeller, S P, Mucke, M, Natan, A, Obaid, R, Osipov, T, Plekan, O, Wang, S, Koch, H & Gühr, M 2017, ' Probing ultrafast ππ*/nπ* internal conversion in organic chromophores via K-edge resonant absorption ', Nature Communications, vol. 8, no. 1, 29 . https://doi.org/10.1038/s41467-017-00069-7
Nature Communications, Vol 8, Iss 1, Pp 1-7 (2017)

Many photoinduced processes including photosynthesis and human vision happen in organic molecules and involve coupled femtosecond dynamics of nuclei and electrons. Organic molecules with heteroatoms often possess an important excited-state relaxation

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::e6ea298b2c60a46751fbdf0bd4d922aa
http://www.nature.com/ncomms/index.html