Zobrazeno 1 - 10
of 623
pro vyhledávání: '"R. Hare"'
Autor:
Helen M Deeks, Rebecca K Walters, Stephanie R Hare, Michael B O'Connor, Adrian J Mulholland, David R Glowacki
Publikováno v:
PLoS ONE, Vol 15, Iss 3, p e0228461 (2020)
Simulating drug binding and unbinding is a challenge, as the rugged energy landscapes that separate bound and unbound states require extensive sampling that consumes significant computational resources. Here, we describe the use of interactive molecu
Externí odkaz:
https://doaj.org/article/aba2e856f8de4d2a823980ea9b1932d7
Publikováno v:
Journal of the American Chemical Society. 144:17219-17231
Rh-catalyzed C-H insertion reactions to form β-lactones suffer from post-transition state bifurcations, with the same transition states leading to ketones and ketenes via fragmentation in addition to β-lactones. In such a circumstance, traditional
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::817753a6e5c0d50d114b7aa326b9ab28
https://doi.org/10.1021/jacs.2c07681
https://doi.org/10.1021/jacs.2c07681
Autor:
Stephanie R. Hare, Dean J. Tantillo
Publikováno v:
Beilstein Journal of Organic Chemistry, Vol 12, Iss 1, Pp 377-390 (2016)
This review describes unexpected dynamical behaviors of rearranging carbocations and the modern computational methods used to elucidate these aspects of reaction mechanisms. Unique potential energy surface topologies associated with these rearrangeme
Externí odkaz:
https://doaj.org/article/cc0c0635c89249cb8d9fc58f1be59b85
Autor:
Stephanie R. Hare, Jim Pfaendtner
Publikováno v:
Physical Chemistry Chemical Physics. 24:3664-3674
Understanding the detailed mechanism by which the proteins of marine diatoms such as silaffins are able to control the morphology of silica oligomers has eluded synthetic chemists and materials scientists for decades. In this study, we use DFT calcul
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::4d2668748c16503ed16dcfb0fd0d8b81
https://doi.org/10.1039/d1cp04542c
https://doi.org/10.1039/d1cp04542c
Publikováno v:
Journal of Physical Organic Chemistry. 35
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::4dd3fbddcde6420df833133e757420bf
https://doi.org/10.1002/poc.4431
https://doi.org/10.1002/poc.4431
Autor:
Maurice Brownjohn, Tiffany Vidal, Lauriane Escalle, Paul Hamer, Graham M. Pilling, Steven R Hare
Publikováno v:
ICES Journal of Marine Science. 78:2432-2447
Drifting Fish Aggregating Devices (dFADs) are a major fishing mode for tropical tuna purse seine fisheries worldwide. However, the extent of dFAD use remains poorly understood. We present novel approaches for estimating annual dFAD deployments and nu
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::c7dec3899a217cc89b45f513afd165a3
https://doi.org/10.1093/icesjms/fsab116
https://doi.org/10.1093/icesjms/fsab116
Akademický článek
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Akademický článek
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Autor:
Karen Bourgeois, Aurore Receveur, Steven R. Hare, Anne Lebourges Dhaussy, Eric Vidal, Andreas Ravache, Philippe Borsa, Henri Weimerskirch, Frédéric Ménard, Valerie Allain, Sophie Laran, Christophe E. Menkès
Publikováno v:
Ecosystems
Ecosystems, 2022, 25 (6), pp.757-779. ⟨10.1007/s10021-021-00685-x⟩
Ecosystems, Springer Verlag, 2021, ⟨10.1007/s10021-021-00685-x⟩
Ecosystems, Springer Verlag, 2022, 25 (6), pp.757-779. ⟨10.1007/s10021-021-00685-x⟩
Ecosystems (1432-9840) (Springer Science and Business Media LLC), 2022-06, Vol. 25, N. 4, P. 757-779
Ecosystems, 2022, 25 (6), pp.757-779. ⟨10.1007/s10021-021-00685-x⟩
Ecosystems, Springer Verlag, 2021, ⟨10.1007/s10021-021-00685-x⟩
Ecosystems, Springer Verlag, 2022, 25 (6), pp.757-779. ⟨10.1007/s10021-021-00685-x⟩
Ecosystems (1432-9840) (Springer Science and Business Media LLC), 2022-06, Vol. 25, N. 4, P. 757-779
Understanding the ecological mechanisms underpinning distribution patterns is vital in managing populations of mobile marine species. This study is a first step towards an integrated description of the habitats and spatial distributions of marine pre
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::e82ac8c1d0dfcbd4439f51e172b74bea
https://hal.ird.fr/ird-03715868
https://hal.ird.fr/ird-03715868
Publikováno v:
Journal of the American Chemical Society. 144:20134-20134
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::b010d13848d5cc418c93b9a50c8ceca3
https://doi.org/10.1021/jacs.2c10446
https://doi.org/10.1021/jacs.2c10446