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of 49
pro vyhledávání: '"Erbs Hillers-Bendtsen A"'
Autor:
Hector H. Corzo, Andreas Erbs Hillers-Bendtsen, Ashleigh Barnes, Abdulrahman Y. Zamani, Filip Pawłowski, Jeppe Olsen, Poul Jørgensen, Kurt V. Mikkelsen, Dmytro Bykov
Publikováno v:
Frontiers in Chemistry, Vol 11 (2023)
Externí odkaz:
https://doaj.org/article/14c7a5cf2dce4af3aaf39f19a4851db7
Autor:
Hector H. Corzo, Andreas Erbs Hillers-Bendtsen, Ashleigh Barnes, Abdulrahman Y. Zamani, Filip Pawłowski, Jeppe Olsen, Poul Jørgensen, Kurt V. Mikkelsen, Dmytro Bykov
Publikováno v:
Frontiers in Chemistry, Vol 11 (2023)
This study examines the computational challenges in elucidating intricate chemical systems, particularly through ab-initio methodologies. This work highlights the Divide-Expand-Consolidate (DEC) approach for coupled cluster (CC) theory—a linear-sca
Externí odkaz:
https://doaj.org/article/8941507d0e3b4b908ce7a19d850379b8
Autor:
Aslam, Adil S., Muhammad, Lidiya M., Erbs Hillers‐Bendtsen, Andreas, Mikkelsen, Kurt V., Moth‐Poulsen, Kasper
Publikováno v:
Chemistry - A European Journal; 8/19/2024, Vol. 30 Issue 46, p1-9, 9p
Autor:
Ghasemi, Shima, Shamsabadi, Monika, Olesund, Axel, Najera, Francisco, Erbs Hillers‐Bendtsen, Andreas, Edhborg, Fredrik, Aslam, Adil S., Larsson, Wera, Wang, Zhihang, Amombo Noa, Francoise M., Salthouse, Rebecca Jane, Öhrström, Lars, Hölzel, Helen, Perez‐Inestrosa, E., Mikkelsen, Kurt V., Hanrieder, Jörg, Albinsson, Bo, Dreos, Ambra, Moth‐Poulsen, Kasper
Publikováno v:
Chemistry - A European Journal; 6/17/2024, Vol. 30 Issue 34, p1-9, 9p
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Autor:
Andreas Erbs Hillers-Bendtsen, Yogesh Todarwal, Michael Pittelkow, Patrick Norman, Kurt V. Mikkelsen
Publikováno v:
The Journal of Physical Chemistry A. 126:6467-6472
Helicenes are of general interest due to the significant chiral signals in both absorption- and emission-based spectroscopy. Herein, the spectroscopic properties of four recently synthesized azaoxahelicenes are studied using density functional theory
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::7eb519124f9eadc94512a78177b8fd21
https://doi.org/10.1021/acs.jpca.2c05721
https://doi.org/10.1021/acs.jpca.2c05721
Autor:
Granhøj, Jeppe, Zalibera, Michal, Malček, Michal, Bliksted Roug Pedersen, Viktor, Erbs Hillers‐Bendtsen, Andreas, Mikkelsen, Kurt V., Rapta, Peter, Brøndsted Nielsen, Mogens
Publikováno v:
Chemistry - A European Journal; Jan2024, Vol. 30 Issue 5, p1-12, 12p
Autor:
Mengots, Alvis1 (AUTHOR), Erbs Hillers‐Bendtsen, Andreas1 (AUTHOR), Doria, Sandra2,3 (AUTHOR), Ørsted Kjeldal, Frederik1 (AUTHOR), Machholdt Høyer, Nicolai1 (AUTHOR), Ugleholdt Petersen, Anne1 (AUTHOR), Mikkelsen, Kurt V.1 (AUTHOR) kmi@chem.ku.dk, Di Donato, Mariangela2,3 (AUTHOR) didonato@lens.unifi.it, Cacciarini, Martina4 (AUTHOR) martina.cacciarini@unifi.it, Brøndsted Nielsen, Mogens1 (AUTHOR) mbn@chem.ku.dk
Publikováno v:
Chemistry - A European Journal. 8/25/2021, Vol. 27 Issue 48, p12437-12446. 10p.
Excited state dynamics and conjugation effects of the photoisomerization reactions of dihydroazulene
Autor:
Andreas Erbs Hillers-Bendtsen, Frederik Ørsted Kjeldal, Nicolai Ree, Eduard Matito, Kurt V. Mikkelsen
Publikováno v:
Physical Chemistry Chemical Physics. 24:28934-28943
Herein, we present an investigation of the excited state dynamics of the dihydroazulene photoswitch and its photoinduced reaction to vinylheptafulvene. The focus is on how the introduction of a benzannulated ring in different sites of the structure c
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::a46ecc0a561b13f28052ca0c0b7accf2
https://doi.org/10.1039/d2cp02706b
https://doi.org/10.1039/d2cp02706b
Autor:
Andreas Erbs Hillers-Bendtsen, Frederik Ørsted Kjeldal, Nicolai Machholdt Høyer, Kurt V. Mikkelsen
Publikováno v:
Physical Chemistry Chemical Physics. 24:5506-5521
In this paper, we present an investigation concerning the prospects of using nanoparticles to improve solar energy storage properties of three different norbornadiene/quadricyclane derivatives. Computationally, we study how different nanoparticles in
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::89198e75c8ddb891c448d9f60108953d
https://doi.org/10.1039/d2cp00226d
https://doi.org/10.1039/d2cp00226d