Results 191 to 200 of about 161,334 (315)

GAMA: A Robust and Automated Fragment-Based Quantum Chemistry Method for Biomolecular Systems. [PDF]

J Phys Chem Lett
Kundu S, Saha A.
europepmc   +1 more source

Unraveling MXene Oxidation Mechanisms Under Realistic Gas Environments by In Situ Gas‐Cell TEM

Advanced Functional Materials, EarlyView.
Real‐time visualization of MXene degradation reveals a fundamental oxidation mechanism under oxygen and moisture environments. Using in situ gas‐cell electron microscopy, this study demonstrates that oxygen degradation drives a thermodynamically controlled high‐temperature transformation into mixed rutile/anatase phases.
Yongfa Cheng, Kunmo Koo, Zizhen Cai, Paty Meza, Yu Wen, Byungseok Seo, Yukun Liu, Xiaobing Hu, Vinayak P. Dravid   +8 more
wiley   +1 more source

The total eclipse of bioinformatics: From disruption to convention, and a gentle warning. [PDF]

PLoS Comput Biol
Ouzounis CA.
europepmc   +1 more source

Magnetic‐Field Control of Surface States in CoFe2O4 Thin Films for Nitrate Electroreduction to Ammonia

Advanced Functional Materials, EarlyView.
Magnetic‐field‐assisted CVD of heterometallic single‐source precursors modulates thin‐film surface electronic structure and interfacial charge transfer. Field‐grown (Cobalt ferrite‐1T)CF‐1T films exhibit stabilized electronic states, lower kinetic barriers, and markedly enhanced nitrate‐to‐ammonia electrocatalysis versus (Cobalt ferrite‐0T) CF‐0T ...
Touraj Karimpour, Younes Mousazade, Simon Diel, Shilendra Kumar Sharma, Tisita Das, Nathália C. Verissimo, Thomas Fischer, Ziyaad Aytuna, Andreas Lichtenberg, Sudip Chakraborty, Marcel Risch, Sanjay Mathur   +11 more
wiley   +1 more source

Methods of computational algebraic geometry in higher dimensional systems theory

Expositions of current mathematics, 2005
openaire   +1 more source

A Dual‐Functional Electrolyte Additive for Highly Reversible Zinc‐Ion Batteries

Advanced Functional Materials, EarlyView.
This study introduces tetrabutylammonium bromide (TBAB) as a dual‐function additive for aqueous zinc‐ion batteries. TBAB disrupts the hydrogen‐bond network of water while TBA+ adsorbs on Zn to improve interfacial wettability and regulate Zn2+ flux, resulting in suppressed dendrite growth and parasitic reactions. This synergy extended the lifespan of Zn|
Shirui Zhang, Shixun Wang, Jianen Zhang, Jun Liu, Jinfeng Xie, Wentao Tang, Li Guan, He Huang, Qi Xue, Chunyi Zhi   +9 more
wiley   +1 more source

Predicting enantiomer migration order of levobunolol via sequential computational modeling. [PDF]

J Mol Model
Maia PP, Freitas RMD, Guimarães L, Nascimento CS.   +3 more
europepmc   +1 more source

Powering Nanocrystal‐Based Heat Engines With Light‐Emitting Metasurfaces That Influence Their Temperature

Advanced Functional Materials, EarlyView.
Metasurfaces and other structured photonic environments can dramatically modify the absorption and/or light emission of semiconductors. However, the consequences of these changes on the temperature of the system are not well understood. The authors address this problem for colloidal nanocrystals and leverage their findings to convert light into ...
Hugo Kowalczyk, Yihao Yuan, Augustin Caillas, Amel Saidoun, Roméo Bonnet, Pascal Filloux, Emmanuel Lhuillier, Aloyse Degiron   +7 more
wiley   +1 more source

Quantum algorithms for equational reasoning. [PDF]

Sci Adv
Rattacaso D, Jaschke D, Ballarin M, Siloi I, Montangero S.   +4 more
europepmc   +1 more source

Wagner, Dändliker und Spenner: Sensors — Vol. 6: Optical Sensors/Barrow: Theorien für Alles/Schuster: Applications of Neural Networks/Press: Numerical Recipes in C: The Art of Scientific Computing/Binder: The Monte Carlo Method in Condensed Matter Physics/Guinier u. Jullien: Die physikalischen Eigenschaften von Festkörpern/Medved: Fundamentals of Dynamical Systems and Bifurcation Theory/Ruhla: The Physics of Chance/Brenig: Statistische Theorie der Wärme: Gleichgewichtsphänomene [PDF]

Physikalische Blätter, 1993
E. Manske, R. W. Gebert, D. Jäger, J. Honerkamp, H. Müller–Krumbhaar, G. Roepstorff, W. Mückenheim, B. Eckhardt   +7 more
openaire   +1 more source