Results 21 to 30 of about 2,054 (165)

The inverse-trans-influence in tetravalent lanthanide and actinide bis(carbene) complexes [PDF]

, 2017
Across the periodic table the trans-influence operates, whereby tightly bonded ligands selectively lengthen mutually trans metal–ligand bonds. Conversely, in high oxidation state actinide complexes the inverse-trans-influence operates, where normally cis
AJ Lewis, AJ Lewis, AJ Wooles, B Kosog, BJ Coe, BM Gardner, BM Gardner, BM Gardner, BM Gardner, BO Roos, D Freedman, D Patel, D Patel, DL Clark, DM King, DM King, DM King, DP Halter, DP Mills, DP Mills, E Lu, E O’Grady, F Basolo, G Bombieri, G Ma, GB Deacon, GB Deacon, GB Deacon, GB Deacon, GW Rabe, H Mattausch, H Mattausch, H Mattausch, H Mattausch, H Mattausch, HS La Pierre, HS La Pierre, HS La Pierre, JA Bogart, JE Cosgriff, JJ Wilson, JL Brown, JR Levin, K Gholivand, K Krogh-Jespersen, K Tatsumi, M Gregson, M Gregson, M Gregson, M Yamada, MR MacDonald, MW Löble, NA Piro, OJ Cooper, OJ Cooper, PF Walch, RA Eikey, RD Shannon, RG Denning, RG Denning, RJ Butcher, RR Langeslay, S Hamidi, TK Panda   +63 more
core   +5 more sources

What Do Large Language Models Know About Materials?

Advanced Engineering Materials, EarlyView.
If large language models (LLMs) are to be used inside the material discovery and engineering process, they must be benchmarked for the accurateness of intrinsic material knowledge. The current work introduces 1) a reasoning process through the processing–structure–property–performance chain and 2) a tool for benchmarking knowledge of LLMs concerning ...
Adrian Ehrenhofer, Thomas Wallmersperger, Gianaurelio Cuniberti   +2 more
wiley   +1 more source

Design and Optimisation of a Microwave Reactor for Kilo-Scale Polymer Synthesis [PDF]

, 2019
Current industrial production of polymer resins is generally undertaken in large multi-tonne stirred tank reactors. These are characterised by relatively slow heating and cooling cycles, resulting in long vessel cycle times and extended production ...
Buttress, A.J., Dodds, C.D., Hargreaves, G., Ilchev, A., Irvine, D.J., Katrib, J., Martin-Tanchereau, P., Monti, T., Sklavounou, A., Unthank, M.G.   +9 more
core   +2 more sources

NanoMOF‐Based Multilevel Anti‐Counterfeiting by a Combination of Visible and Invisible Photoluminescence and Conductivity

Advanced Functional Materials, EarlyView.
This study presents novel anti‐counterfeiting tags with multilevel security features that utilize additional disguise features. They combine luminescent nanosized Ln‐MOFs with conductive polymers to multifunctional mixed‐matrix membranes and powder composites. The materials exhibit visible/NIR emission and matrix‐based conductivity even as black bodies.
Moritz Maxeiner, Ruben Maile, Murat Cuvalli, Andreas Wolf, Ayisha Komal, Robert Oestreich, Christoph Janiak, Karl Mandel, Alexander Knebel, Klaus Müller‐Buschbaum   +9 more
wiley   +1 more source

Biodegradable and Recyclable Luminescent Mixed‐Matrix‐Membranes, Hydrogels, and Cryogels based on Nanoscale Metal‐Organic Frameworks and Biopolymers

Advanced Functional Materials, EarlyView.
The study presents biodegradable and recyclable mixed‐matrix membranes (MMMs), hydrogels, and cryogels using luminescent nanoscale metal‐organic frameworks (nMOFs) and biopolymers. These bio‐nMOF‐MMMs combine europium‐based nMOFs as probes for the status of the materials with the biopolymers agar and gelatine and present alternatives to conventional ...
Moritz Maxeiner, Julian Burkhart, Kateryna Borysova, Chiara Mazzariol, Klaus Müller‐Buschbaum   +4 more
wiley   +1 more source

Density functional dependence of molecular geometries in lanthanide(III) complexes relevant to bioanalytical and biomedical applications [PDF]

, 2012
[Abstract] A set of 15 lanthanide-containing model systems was used to evaluate the performance of 15 commonly available density functionals (SVWN, SPL, BLYP, G96LYP, mPWLYP, B3LYP, BH&HLYP, B3PW91, BB95, mPWB95, TPSS, TPSSh, M06, CAM-B3LYP and wB97XD ...
Blas, Andrés de, Esteban-Gómez, David, Platas-Iglesias, Carlos, Regueiro-Figueroa, Martín, Roca Sabio, Adrián, Rodríguez-Blas, Teresa   +5 more
core   +2 more sources

Near‐Infrared Emitting Lanthanide Catecholate Giant Single Crystals – Morphology Control and Photon Down‐Conversion

Advanced Functional Materials, EarlyView.
Controlled syntheses of lanthanide coordination polymers based on the dihydroxybenzoquinone (DHBQ) organic linker afforded large single crystals of Ln‐DHBQ CPs (Ln = Yb, Nd). A novel structural variant of Yb‐DHBQ is identified by means of single crystal diffraction analysis.
Marina I. Schönherr, Alexander Biewald, Andre Mähringer, Thaddäus J. Koller, Peter Mayer, Markus Döblinger, Achim Hartschuh, Dana D. Medina   +7 more
wiley   +1 more source

Fast‐Responding O2 Gas Sensor Based on Luminescent Europium Metal‐Organic Frameworks (MOF‐76)

Advanced Functional Materials, EarlyView.
Luminescent MOF‐76 materials based on Eu(III) and mixed Eu(III)/Y(III) show rapid and reversible changes in emission intensity in response to O2 with very short response times. The effect is based on triplet quenching of the linker ligands that act as photosensitizers. Average emission lifetimes of a few milliseconds turn out to be mostly unaffected by
Zhenyu Zhao, Christian Weinberger, Jakob Steube, Matthias Bauer, Martin Brehm, Michael Tiemann   +5 more
wiley   +1 more source

Photoswitching Conduction in Framework Materials

Advanced Functional Materials, EarlyView.
This mini‐review summarizes recent advances in state‐of‐the‐art proton and electron conduction in framework materials that can be remotely and reversibly switched on and off by light. It discusses the various photoswitching conduction mechanisms and the strategies employed to enhance photoswitched conductivity.
Helmy Pacheco Hernandez, Stefan Hecht, Wolfgang Wenzel, Lars Heinke, Mariana Kozlowska   +4 more
wiley   +1 more source

Optimized Basis Sets for the Environment in the Domain-Specific Basis Set Approach of the Incremental Scheme [PDF]

, 2016
Minimal basis sets, denoted DSBSenv, have been developed based on the segmented basis sets of Ahlrichs and co-workers for use as environmental basis set for the domain-specific basis set incremental scheme with the aim of decreasing the CPU requirements ...
Fletcher R., Helgaker T., J. Grant Hill, Joachim Friedrich, Tony Anacker   +4 more
core   +1 more source