Zobrazeno 1 - 10
of 104
pro vyhledávání: '"Felix, Plasser"'
Publikováno v:
Chemistry, Vol 6, Iss 5, Pp 1312-1325 (2024)
Solvents can have a tremendous influence on the rate and selectivity of chemical reactions, but their effects are not always well accounted for. In the present work, density functional theory computations are used to investigate the influence of solv
Externí odkaz:
https://doaj.org/article/812b238545e642ba81f80255febb6df3
Autor:
Felix Plasser
Publikováno v:
Chemistry, Vol 3, Iss 2, Pp 532-549 (2021)
Polycyclic aromatic hydrocarbons (PAH) are a prominent substance class with a variety of applications in molecular materials science. Their electronic properties crucially depend on the bond topology in ways that are often highly non-intuitive. Here,
Externí odkaz:
https://doaj.org/article/a0b86b73c80045a8b8232d938b889fa7
Publikováno v:
Beilstein Journal of Organic Chemistry, Vol 16, Iss 1, Pp 1983-1990 (2020)
An intermolecular radical addition, using photoredox catalysis, to allenamides and allencarbamates is reported. This transformation synthesizes N-acyl-N’-aryl-N,N’-allylaminals, and proceeds by a conjugated N-acyliminium intermediate that previou
Externí odkaz:
https://doaj.org/article/59e45f281c354efca5c786957c797f51
Publikováno v:
Open Research Europe, Vol 1 (2022)
Background: Poly(p-phenylene vinylene)s (PPVs) and [2.2.2.2]paracyclophanetetraene (PCT) are both composed of alternating π-conjugated para-phenylene and vinylene units. However, while the former constitute a class of π-conjugated polymers that has
Externí odkaz:
https://doaj.org/article/50bbce6be0df43a9adf978c935afa0fc
Autor:
Patrick Kimber, Felix Plasser
Publikováno v:
Journal of Chemical Theory and Computation. 19:2340-2352
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::3d5dc2f9c2f2945d1024609737407261
https://doi.org/10.1021/acs.jctc.3c00125
https://doi.org/10.1021/acs.jctc.3c00125
Publikováno v:
Chemical Science
Chemical Science, 2023, 14, pp.4012-4026. ⟨10.1039/d2sc06990c⟩
Chemical Science, 2023, 14, pp.4012-4026. ⟨10.1039/d2sc06990c⟩
International audience; Electronic states with partial or complete doubly excited character play a crucial role in many areas, such as singlet fission and non-linear optical spectroscopy. Although doubly excited states have been studied in polyenes a
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::7f983065b65d95b1aebb1f16b45e41cb
https://doi.org/10.1039/d2sc06990c
https://doi.org/10.1039/d2sc06990c
Autor:
Megan L. Shipton, Fathima A. Jamion, Simon Wheeler, Andrew M. Riley, Felix Plasser, Barry V. L. Potter, Stephen J. Butler
Inositol pyrophosphates are important biomolecules associated with apoptosis, cell growth and kinase regulation, yet their exact biological roles are still emerging and probes do not exist for their selective detection. We report the first molecular
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::d893ea3969db0d29dd799bca647bc8bb
https://ora.ox.ac.uk/objects/uuid:ae15b87e-8207-4f06-aa58-69fd69316d1a
https://ora.ox.ac.uk/objects/uuid:ae15b87e-8207-4f06-aa58-69fd69316d1a
Autor:
Giovanni Li Manni, Ignacio Fdez. Galván, Ali Alavi, Flavia Aleotti, Francesco Aquilante, Jochen Autschbach, Davide Avagliano, Alberto Baiardi, Jie J. Bao, Stefano Battaglia, Letitia Birnoschi, Alejandro Blanco-González, Sergey I. Bokarev, Ria Broer, Roberto Cacciari, Paul B. Calio, Rebecca K. Carlson, Rafael Carvalho Couto, Luis Cerdán, Liviu F. Chibotaru, Nicholas F. Chilton, Jonathan Richard Church, Irene Conti, Sonia Coriani, Juliana Cuéllar-Zuquin, Razan E. Daoud, Nike Dattani, Piero Decleva, Coen de Graaf, Mickaël G. Delcey, Luca De Vico, Werner Dobrautz, Sijia S. Dong, Rulin Feng, Nicolas Ferré, Michael Filatov(Gulak), Laura Gagliardi, Marco Garavelli, Leticia González, Yafu Guan, Meiyuan Guo, Matthew R. Hennefarth, Matthew R. Hermes, Chad E. Hoyer, Miquel Huix-Rotllant, Vishal Kumar Jaiswal, Andy Kaiser, Danil S. Kaliakin, Marjan Khamesian, Daniel S. King, Vladislav Kochetov, Marek Krośnicki, Arpit Arun Kumaar, Ernst D. Larsson, Susi Lehtola, Marie-Bernadette Lepetit, Hans Lischka, Pablo López Ríos, Marcus Lundberg, Dongxia Ma, Sebastian Mai, Philipp Marquetand, Isabella C. D. Merritt, Francesco Montorsi, Maximilian Mörchen, Artur Nenov, Vu Ha Anh Nguyen, Yoshio Nishimoto, Meagan S. Oakley, Massimo Olivucci, Markus Oppel, Daniele Padula, Riddhish Pandharkar, Quan Manh Phung, Felix Plasser, Gerardo Raggi, Elisa Rebolini, Markus Reiher, Ivan Rivalta, Daniel Roca-Sanjuán, Thies Romig, Arta Anushirwan Safari, Aitor Sánchez-Mansilla, Andrew M. Sand, Igor Schapiro, Thais R. Scott, Javier Segarra-Martí, Francesco Segatta, Dumitru-Claudiu Sergentu, Prachi Sharma, Ron Shepard, Yinan Shu, Jakob K. Staab, Tjerk P. Straatsma, Lasse Kragh Sørensen, Bruno Nunes Cabral Tenorio, Donald G. Truhlar, Liviu Ungur, Morgane Vacher, Valera Veryazov, Torben Arne Voß, Oskar Weser, Dihua Wu, Xuchun Yang, David Yarkony, Chen Zhou, J. Patrick Zobel, Roland Lindh
Publikováno v:
Journal of Chemical Theory and Computation.
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::e5c743fdd0f7bf1fbaab9b764bafcf81
https://doi.org/10.1021/acs.jctc.3c00182
https://doi.org/10.1021/acs.jctc.3c00182
Autor:
Troy L. R. Bennett, Adam V. Marsh, James M. Turner, Felix Plasser, Martin Heeney, Florian Glöcklhofer
Conjugated macrocycles can exhibit concealed antiaromaticity; that is, despite not being antiaromatic, under specific circumstances, they can display properties typically observed in antiaromatic molecules due to their formal macrocyclic 4n π-electr
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::8eb2b3ee868101ded40ea7503fd1c0dc
http://hdl.handle.net/10044/1/104320
http://hdl.handle.net/10044/1/104320
Autor:
Simon J. Coles, Peter N. Horton, Patrick Kimber, Wim T. Klooster, Pingchuan Liu, Felix Plasser, Martin B. Smith, Graham J. Tizzard
Publikováno v:
Chemical Communications. 58:5598-5601
Treatment of a κ1-P-monodentate bicyclic diphosphane iridium(iii) complex with a labile gold(i) precursor afforded an unusual IrIII/AuI complex in which the P-P single bond has been cleaved. This reaction was cleanly reversed upon addition of tertia
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::70f1d13dfec9617285a78aa00d3ec009
https://doi.org/10.1039/d2cc00706a
https://doi.org/10.1039/d2cc00706a