Results 1 to 10 of about 727,446 (229)

Stability and Reversible Oxidation of Sub‐Nanometric Cu5 Metal Clusters: Integrated Experimental Study and Theoretical Modeling

Chemistry, 2023
Sub‐nanometer metal clusters have special physical and chemical properties, significantly different from those of nanoparticles. However, there is a major concern about their thermal stability and susceptibility to oxidation.
D. Buceta, Shahana Huseyinova, Miguel Cuerva, Héctor Lozano, L. Giovanetti, J. Ramallo-López, Patricia López-Caballero, A. Zanchet, A. Mitrushchenkov, A. Hauser, G. Barone, C. Huck‐Iriart, C. Escudero, J. Hernández‐Garrido, J. Calvino, M. López‐Haro, M. P. de Lara‐Castells, F. Requejo, M. López-Quintela   +18 more
semanticscholar   +1 more source

Direct Electrochemical CO2 Capture Using Substituted Anthraquinones in Homogeneous Solutions: A Joint Experimental and Theoretical Study

The journal of physical chemistry. C, Nanomaterials and interfaces, 2022
Electrochemical capture of carbon dioxide (CO2) using organic quinones is a promising and intensively studied alternative to the industrially established scrubbing processes.
Corina Schimanofsky, Dominik Wielend, Stefanie Kröll, Sabine Lerch, Daniel Werner, Josef M. Gallmetzer, Felix Mayr, H. Neugebauer, M. Irimia‐Vladu, E. Portenkirchner, T. Hofer, N. S. Sariçiftçi   +11 more
semanticscholar   +1 more source

Identifying (BN)2-pyrene as a new class of singlet fission chromophores: significance of azaborine substitution [PDF]

, 2018
Singlet fission converts one photoexcited singlet state to two triplet excited states and raises photoelectric conversion efficiency in photovoltaic devices.
Mellerup, Soren, Stamplecoskie, Kevin, Wang, Suning, Wang, Xiang, Yang, Dengtao, Zeng, Tao   +5 more
core   +1 more source

Exact electronic states with shallow quantum circuits from global optimisation

npj Quantum Information, 2023
Quantum computers promise to revolutionise molecular electronic simulations by overcoming the exponential memory scaling. While electronic wave functions can be represented using a product of fermionic unitary operators, the best ansatz for strongly ...
Hugh G. A. Burton, Daniel Marti-Dafcik, David P. Tew, David J. Wales   +3 more
doaj   +1 more source

Modular detergents tailor the purification and structural analysis of membrane proteins including G-protein coupled receptors

Nature Communications, 2020
Detergents are indispensable reagents in membrane protein structural biology. Here, L. H. Urner and co-workers introduce oligoglycerol detergents (OGDs) and use native mass spectrometry to show how interactions of membrane proteins with native membrane ...
Leonhard H. Urner, Idlir Liko, Hsin-Yung Yen, Kin-Kuan Hoi, Jani Reddy Bolla, Joseph Gault, Fernando Gonçalves Almeida, Marc-Philip Schweder, Denis Shutin, Svenja Ehrmann, Rainer Haag, Carol V. Robinson, Kevin Pagel   +12 more
doaj   +1 more source

Probing and Interpreting the Porosity and Tortuosity Evolution of Li-O2 Cathodes on Discharge through a Combined Experimental and Theoretical Approach

The journal of physical chemistry. C, Nanomaterials and interfaces, 2021
Li-O2 batteries offer a high theoretical discharge capacity due to the formation of light discharged species such as Li2O2, which fill the porous positive electrode. However, in practice, it is challenging to reach the theoretical capacity and completely
Amangeldi Torayev, Simon Engelke, Zeliang Su, Lauren E. Marbella, V. De Andrade, Arnaud Demortière, P. Magusin, Céline Merlet, A. Franco, C. Grey   +9 more
semanticscholar   +1 more source

Controlled reduction of photobleaching in DNA origami gold nanoparticle hybrids [PDF]

, 2014
The amount of information obtainable from a fluorescence-based measurement is limited by photobleaching: Irreversible photochemical reactions either render the molecules nonfluorescent or shift their absorption and/or emission spectra outside the working
Acuna G. P., Acuna G. P., Altman R. B., Anastasiya Puchkova, Andreas Gietl, Avlasevich Y., Barnes W. L., Benesch R. E., Birka Lalkens, Busson M. P., Cang H., Chance R., Coronado E. a, Drexhage K. H., Enderlein J., Fernando D. Stefani, Guillermo P. Acuna, Ha T., Hirschfeld T., Hoogenboom J. P., Jesica V. Pellegrotti, Kühn S., Lakowicz J. R., Malicka J., Mirkin C., Muskens O. L., Möller F. M., Novotny L., Panchuk-Voloshina N., Phil Holzmeister, Philip Tinnefeld, Purcell E., Rasnik I., Rothemund P. W. K., Schmied J. J., Stefani F. D., Vasilev K., Vogelsang J., Yildiz A., Yu X., Zaiba S.   +40 more
core   +2 more sources

Combined Experimental and Theoretical Study of the Competitive Absorption of CO2 and NO2 by a Superbase Ionic Liquid

ACS Sustainable Chemistry and Engineering, 2021
A superbase ionic liquid (IL), trihexyltetradecylphosphonium benzimidazolide ([P66614][Benzim]), is investigated for the capture of CO2 in the presence of NO2 impurities.
Adam J. Greer, S. F. Taylor, H. Daly, M. Quesne, N. D. de Leeuw, C. Catlow, J. Jacquemin, C. Hardacre   +7 more
semanticscholar   +1 more source

The LBFGS Quasi-Newtonian Method for Molecular Modeling Prion AGAAAAGA Amyloid Fibrils [PDF]

, 2012
Experimental X-ray crystallography, NMR (Nuclear Magnetic Resonance) spectroscopy, dual polarization interferometry, etc are indeed very powerful tools to determine the 3-Dimensional structure of a protein (including the membrane protein); theoretical ...
Hou, Yating, Wang, Changyu, Wang, Yiju, Zhang, Jiapu, Zhang, Xiangsun   +4 more
core   +3 more sources

Chemistry students’ conceptual difficulties and problem solving behavior in chemical kinetics, as a component of an introductory physical chemistry course

Chemistry Teacher International, 2022
The identification of undergraduate chemistry students’ conceptual difficulties and common mistakes with basic concepts and problems in chemical kinetics provided the aim for this study, which involved 2nd-year/4th semester students who had passed the ...
Charalampia Stroumpouli, Georgios Tsaparlis   +1 more
semanticscholar   +1 more source