Results 71 to 80 of about 2,372,774 (365)

Advancing Electronic Application of Coordination Solids: Enhancing Electron Transport and Device Integration via Surface‐Mounted MOFs (SURMOFs)

Advanced Functional Materials, EarlyView.
The layer‐by‐layer (LbL) assembly of coordination solids, enabled by the surface‐mounted metal‐organic framework (SURMOF) platform, is on the cusp of generating the organic counterpart of the epitaxy of inorganics. The programmable and sequential SURMOF protocol, optimized by machine learning (ML), is suited for accessing high‐quality thin films of ...
Zhengtao Xu, Christof Wöll, Stefan Bräse   +2 more
wiley   +1 more source

Coarse-graining strategies in polymer solutions

, 2012
We review a coarse-graining strategy (multiblob approach) for polymer solutions in which groups of monomers are mapped onto a single atom (a blob) and effective blob-blob interactions are obtained by requiring the coarse-grained model to reproduce some ...
Addison, Akkermans, Akkermans, Akkermans, Andrea Pelissetto, Bates, Bolhuis, Bolhuis, Bolhuis, Caracciolo, Carbone, Carlo Pierleoni, Cavallo, Ciccotti, Clark, Clisby, Coluzza, Dautenhahn, Dijkstra, Flory, Fritz, Fuchs, Giuseppe D'Adamo, Grosberg, Gross, Hansen, Henderson, Likos, Louis, Louis, Louis, Louis, Milano, Murat, Mutch, Müller, Müller-Plathe, Pelissetto, Pelissetto, Pelissetto, Pierleoni, Pierleoni, Poon, Reith, Rossi, Sambriski, Schommers, Stillinger, Tuinier, Vettorel, Yan   +50 more
core   +1 more source

Visualizing intramolecular distortions as the origin of transverse magnetic anisotropy [PDF]

, 2018
The magnetic properties of metal–organic complexes are strongly influenced by conformational changes in the ligand. The flexibility of Fe-tetra-pyridyl-porphyrin molecules leads to different adsorption configurations on a Au(111) surface.
Czekelius, Constantin, Franke, Katharina J., Heinrich, Benjamin W., Lotze, Christian, Rolf, Daniela   +4 more
core   +3 more sources

The Effect of Crystal Contact Forces on Protein Intramolecular Dynamics [PDF]

Biophysical Journal, 2015
Increasingly time resolved X-ray crystallography and solid state NMR have been employed to characterize dynamics. In the advent of X-ray free electron sources at Stanford (LCLS), and Hamburg (European XFEL) there is a strong push to extend time-resolved measurements.
Markelz, Andrea, Niessen, Katherine, Xu, Mengyang   +2 more
openaire   +1 more source

Synchrotron Radiation for Quantum Technology

Advanced Functional Materials, EarlyView.
Materials and interfaces underpin quantum technologies, with synchrotron and FEL methods key to understanding and optimizing them. Advances span superconducting and semiconducting qubits, 2D materials, and topological systems, where strain, defects, and interfaces govern performance.
Oliver Rader, Sakura Pascarelli, Klaus Attenkofer, Anna A. Makarova, Karsten Holldack, Kai Rossnagel, Kristiaan Temst, George Kourousias, Stefano Carretta, Caterina Biscari, Helmut Dosch   +10 more
wiley   +1 more source

Predicting molecular properties of α‐synuclein using force fields for intrinsically disordered proteins

Proteins: Structure, Function, and Bioinformatics, 2022
Independent force field validation is an essential practice to keep track of developments and for performing meaningful Molecular Dynamics simulations.
Kasper B Pedersen, J. C. Flores-Canales, B. Schiøtt   +2 more
semanticscholar   +1 more source

Ladder‐Type Benzene‐Perylene Dyes with Efficient Laser Properties in the Near‐IR by Detracting/Activating Low/High Frequency Vibronic Modes

Advanced Functional Materials, EarlyView.
The NNR‐n series of oligomeric nanographenes delivers exceptional emission performance. This work shows that this performance is originated by their ladder‐type structure, which effectively deactivates low‐frequency vibronic modes. This deactivation neglects the main pathway for non‐emissive deactivation, even in the near‐infrared region. The potential
Marcos Díaz‐Fernández, Álex Farrando Pérez, Fernando Gordillo Gámez, Pedro G. Boj, José M. Villalvilla, José A. Quintana, Yanpei Wan, Daniel Aranda, José Manuel Marín‐Beloqui, Jishan Wu, Zebing Zeng, María A. Díaz‐García, Juan Casado   +12 more
wiley   +1 more source

Cyano-Substituted Oligo(p-phenylene vinylene) Derivatives with Aggregation-Induced Enhanced Emissions and Mechanofluorochromic Luminescence

Molecules
Developing red fluorescence emitters with simple structures via convenient synthetic routes is highly desirable yet challenging. Herein, two novel donor–acceptor-type red emitters, DCFOPV-TPA and SCFOPV-TPA, featuring the intramolecular charge transfer ...
Xinju Zhu, Yaru Pan, Xinran Zhao, Yu Yuan, Zewen Zhai, Xiaoni Yu, Wenjing Zhang, Yuanyuan Chang, Bing Song, Linlin Shi, Xinqi Hao   +10 more
doaj   +1 more source

Crystal structure of bis[μ-bis(diphenylphosphanyl)methane-κ2P:P′]-μ-chlorido-chlorido-1κCl-(1-phenylthiourea-2κS)disilver acetonitrile hemisolvate

Acta Crystallographica Section E: Crystallographic Communications, 2015
In the dinuclear title complex, [Ag2Cl2(C7H8N2S)(C25H22P2)2]·0.5CH3CN, each AgI ion displays a distorted tetrahedral coordination geometry with two P atoms from two bis(diphenylphosphanyl)methane (dppm) ligands, one bridging chloride ion, one terminal ...
Arunpatcha Nimthong-Roldán, Janejira Ratthiwal, Yupa Wattanakanjana   +2 more
doaj   +1 more source

Efek Intermolecular Forces: Perubahan Physical Properties pada Campuran Premium dan Bio-Additive Orange Peel

Rekayasa Mesin, 2021
The addition of bio-additive in gasoline was needed in order to improve the anti-knock quality. The bio-additive used was orange peel in the form of essential oil.
Musyaroh Musyaroh, Widya Wijayanti, Mega Nur Sasongko, Ahmad Difal Rizaldy   +3 more
doaj   +1 more source