Zobrazeno 1 - 10
of 842
pro vyhledávání: '"Stefan Grimme"'
Autor:
Laura Marie Grimm, Yichuan Wang, Amrutha Prabodh, Emma Barilli, Sebastian Spicher, Zahid Hassan, Stefan Grimme, Stefan Bräse, Frank Biedermann
Publikováno v:
ChemistryEurope, Vol 2, Iss 3-4, Pp n/a-n/a (2024)
Abstract In supramolecular chemistry, the pursuit of highly efficient molecular recognition systems holds paramount significance. This study introduces new [2.2]paracyclophanes (PCP) as exceptional guest molecules for cucurbit[8]uril (CB8). This well
Externí odkaz:
https://doaj.org/article/34ed1eb4312842dcbdff8b33a954bbbf
Autor:
Stefanie A. Meißner, Theresa Eder, Tristan J. Keller, David A. Hofmeister, Sebastian Spicher, Stefan-S. Jester, Jan Vogelsang, Stefan Grimme, John M. Lupton, Sigurd Höger
Publikováno v:
Nature Communications, Vol 12, Iss 1, Pp 1-8 (2021)
Increasing the rigidity of a macromolecule while maintaining solubility is challenging. Here, the authors demonstrate covalent connection of two rigid-rod polymer chains with stiff connectors, leading to rigid ladder structures with well-defined conj
Externí odkaz:
https://doaj.org/article/10bfa95b59cd486fa2bdb2fe59ef3e03
Autor:
Jeroen Koopman, Stefan Grimme
Publikováno v:
ACS Omega, Vol 4, Iss 12, Pp 15120-15133 (2019)
Externí odkaz:
https://doaj.org/article/1d5d862fcff84b2a9f29fd284c8ca056
Autor:
Xingxing Zhang, Wanlu Li, Lai Feng, Xin Chen, Andreas Hansen, Stefan Grimme, Skye Fortier, Dumitru-Claudiu Sergentu, Thomas J. Duignan, Jochen Autschbach, Shuao Wang, Yaofeng Wang, Giorgios Velkos, Alexey A. Popov, Nabi Aghdassi, Steffen Duhm, Xiaohong Li, Jun Li, Luis Echegoyen, W. H. Eugen Schwarz, Ning Chen
Publikováno v:
Nature Communications, Vol 9, Iss 1, Pp 1-8 (2018)
While metal–carbon double bonds are common in transition metal chemistry and catalysis, unsupported uranium–carbon double bonds remain highly challenging to prepare. Here, the authors stabilize and characterize a U=C=U cluster containing unusuall
Externí odkaz:
https://doaj.org/article/43cf8bb9730242659a08a6490909e157
Autor:
Friedrich Malberg, Jan Gerit Brandenburg, Werner Reckien, Oldamur Hollóczki, Stefan Grimme, Barbara Kirchner
Publikováno v:
Beilstein Journal of Organic Chemistry, Vol 10, Iss 1, Pp 1299-1307 (2014)
This study investigates the effect of substitution with different functional groups and of molecular flexibility by changing within the axle from a single C–C bond to a double C=C bond. Therefore, we present static quantum chemical calculations at
Externí odkaz:
https://doaj.org/article/5a153a6e7a4f45c39c7aa59d59aa9478
Publikováno v:
Molecules, Vol 24, Iss 11, p 2168 (2019)
8-Arylethynylxanthine derivatives are potent, selective adenosine A2A receptor antagonists, which represent (potential) therapeutics for Parkinson’s disease, Alzheimer’s dementia, and the immunotherapy of cancer. 6-Amino-5-amidouracil derivatives
Externí odkaz:
https://doaj.org/article/25023956306f40b181c13fb1da44ad76
Publikováno v:
Beilstein Journal of Organic Chemistry, Vol 9, Iss 1, Pp 1620-1629 (2013)
The intramolecular radical addition to aniline derivatives was investigated by DFT calculations. The computational methods were benchmarked by comparing the calculated values of the rate constant for the 5-exo cyclization of the hexenyl radical with
Externí odkaz:
https://doaj.org/article/2e7d3ee373c345bc8cbab2d618be00d0
Autor:
Marcel Bamberg, Thomas Gasevic, Michael Bolte, Alexander Virovets, Hans-Wolfram Lerner, Stefan Grimme, Markus Bursch, Matthias Wagner
Publikováno v:
Journal of the American Chemical Society 145(20), 11440-11448 (2023). doi:10.1021/jacs.3c03270
Journal of the American Chemical Society 145(20), 11440 - 11448 (2023). doi:10.1021/jacs.3c03270
Silafulleranes with endohedral Cl$^−$ ions are a unique,scarcely explored class of structurally well-defined silicon clustersand host-guest comple
Silafulleranes with endohedral Cl$^−$ ions are a unique,scarcely explored class of structurally well-defined silicon clustersand host-guest comple
Publikováno v:
Journal of the American Chemical Society. 145:7101-7106
Publikováno v:
Chemistry of Materials. 35:2820-2826