Zobrazeno 1 - 10
of 584
pro vyhledávání: '"Laura Gagliardi"'
Publikováno v:
ACS Central Science, Vol 10, Iss 4, Pp 833-841 (2024)
Externí odkaz:
https://doaj.org/article/640081ad4ddd4128b85b748b86c3b716
Autor:
Arturo Sauza-de la Vega, Riddhish Pandharkar, Gautam D. Stroscio, Arup Sarkar, Donald G. Truhlar, Laura Gagliardi
Publikováno v:
JACS Au, Vol 2, Iss 9, Pp 2029-2037 (2022)
Externí odkaz:
https://doaj.org/article/034949adfba5433faca4837ced253107
Autor:
Cornelius Gropp, Stefano Canossa, Stefan Wuttke, Felipe Gándara, Qiaowei Li, Laura Gagliardi, Omar M. Yaghi
Publikováno v:
ACS Central Science, Vol 6, Iss 8, Pp 1255-1273 (2020)
Externí odkaz:
https://doaj.org/article/1b213f3d4f824fcda5d80815ae0f11b5
Autor:
Julia Oktawiec, Henry Z. H. Jiang, Jenny G. Vitillo, Douglas A. Reed, Lucy E. Darago, Benjamin A. Trump, Varinia Bernales, Harriet Li, Kristen A. Colwell, Hiroyasu Furukawa, Craig M. Brown, Laura Gagliardi, Jeffrey R. Long
Publikováno v:
Nature Communications, Vol 11, Iss 1, Pp 1-11 (2020)
Oxygen capture is attractive for catalysis, sensing, and separations, but engineering stable and selective adsorbents is challenging. Here the authors combine metal-based electron transfer with secondary coordination sphere effects in a metal-organic
Externí odkaz:
https://doaj.org/article/95971025db63432eb25b0d9df76d92af
Autor:
Ashley J. Wooles, David P. Mills, Floriana Tuna, Eric J. L. McInnes, Gareth T. W. Law, Adam J. Fuller, Felipe Kremer, Mark Ridgway, William Lewis, Laura Gagliardi, Bess Vlaisavljevich, Stephen T. Liddle
Publikováno v:
Nature Communications, Vol 9, Iss 1, Pp 1-11 (2018)
Owing to the propensity for uranium(III) compounds to undergo disproportionation, uranium-element multiple bonds involving uranium(III) oxidation states remain rare. Here the authors report hexauranium-methanediide rings that formally contain uranium
Externí odkaz:
https://doaj.org/article/6d5b982b9054495bbc0c7c6c9cd21250
Autor:
Varinia Bernales, Manuel A. Ortuño, Donald G. Truhlar, Christopher J. Cramer, Laura Gagliardi
Publikováno v:
ACS Central Science, Vol 4, Iss 1, Pp 5-19 (2017)
Recent progress in the synthesis and characterization of metal–organic frameworks (MOFs) has opened the door to an increasing number of possible catalytic applications. The great versatility of MOFs creates a large chemical space, whose thorough ex
Externí odkaz:
https://doaj.org/article/99dd728d51fa4b2ba52e12552750aa9c
Publikováno v:
Molecules, Vol 26, Iss 10, p 2881 (2021)
Transition metal silicides are promising materials for improved electronic devices, and this motivates achieving a better understanding of transition metal bonds to silicon. Here we model the ground and excited state bond dissociations of VSi, NbSi,
Externí odkaz:
https://doaj.org/article/2ee875a001ba492a89459c4fbf9a25d1
Autor:
Zhanyong Li, Aaron W. Peters, Varinia Bernales, Manuel A. Ortuño, Neil M. Schweitzer, Matthew R. DeStefano, Leighanne C. Gallington, Ana E. Platero-Prats, Karena W. Chapman, Christopher J. Cramer, Laura Gagliardi, Joseph T. Hupp, Omar K. Farha
Publikováno v:
ACS Central Science, Vol 3, Iss 1, Pp 31-38 (2016)
Externí odkaz:
https://doaj.org/article/b90874753f0e4ac5a083f785663f7067
Publikováno v:
Molecules, Vol 23, Iss 6, p 1309 (2018)
Combined quantum mechanical and molecular mechanical (QM/MM) methods are the most powerful available methods for high-level treatments of subsystems of very large systems. The treatment of the QM−MM boundary strongly affects the accuracy of QM/MM c
Externí odkaz:
https://doaj.org/article/5bec68f3862646f9be06e48df2c385ae
Autor:
Hans Hagemann, Jacques Weber, Edwin Anthony C. Lucken, Fazil Gülaçar, Armand Buchs, Hans Bill, Andreas Hauser, Michel Geoffroy, Laura Gagliardi, Théo Berclaz, Tomasz A. Wesolowski, Eric Vauthey
Publikováno v:
CHIMIA, Vol 63, Iss 12 (2009)
A brief historical overview of physical chemistry at the University of Geneva as well as a description of the present research activities at the department of physical chemistry are presented.
Externí odkaz:
https://doaj.org/article/06b2879f977543b68fb73422db511362