Results 211 to 220 of about 638,897 (327)

Understanding and Optimizing Li Substitution in P2‐Type Sodium Layered Oxides for Sodium‐Ion Batteries

Advanced Functional Materials, EarlyView.
This work explores Li‐substituted P2 layered oxides for Na‐ion batteries by crystallographic and electrochemical studies. The effect of lithium on superstructure orderings, on phase transitions during synthesis and electrochemical cycling and on the interplay of O‐ versus TM‐redox is revealed via various advanced techniques, including semi‐simultaneous 
Mingfeng Xu, Giovanni Gammaitoni, Michael Häfner, Eduardo Villalobos‐Portillo, Carlo Marini, Matteo Bianchini   +5 more
wiley   +1 more source

Exploring the Efficacy and Target Genes of Atractylodes Macrocephala Koidz Against Alzheimer's Disease Based on Multi-Omics, Computational Chemistry, and Experimental Verification. [PDF]

Curr Issues Mol Biol
Zheng Y, Gao X, Tang J, Gao L, Cui X, Liu K, Zhang X, Jin M.   +7 more
europepmc   +1 more source

Connecting Gas-Phase Computational Chemistry to Condensed Phase Kinetic Modeling: The State-of-the-Art. [PDF]

Polymers (Basel), 2021
Edeleva M, Van Steenberge PHM, Sabbe MK, D'hooge DR.   +3 more
europepmc   +1 more source

Spectroelectrochemical Determination of Förster Radii for Triplet‐Polaron Quenching in Phosphorescent Organic Light‐Emitting Diodes

Advanced Functional Materials, EarlyView.
Phosphorescent OLEDs suffer from efficiency roll‐off due to triplet‐polaron quenching (TPQ). This study demonstrates for a large set of host‐guest combinations a spectroelectrochemical method to measure the absorption of charged molecules, enabling determining TPQ Förster radii (2.5–4 nm) from the spectral overlap.
Stan E. A. Jaspars, Hiroki Tomita, Clint van Hoesel, Nicolas Daub, René A.J. Janssen, Reinder Coehoorn   +5 more
wiley   +1 more source

Computational Chemistry: Abstracts 98-127

CHIMIA, 2006
Swiss Chemical Society
doaj   +1 more source

Molecular dynamics simulations of the sputtering of boron and boron oxide surfaces. [PDF]

RSC Adv
Shermukhamedov S, Maihom T, Hermansson K, Probst M.   +3 more
europepmc   +1 more source

The new leader in theoretical and computational chemistry [PDF]

, 2007

openalex   +1 more source

Patterned Assembly of Transition Metal Dichalcogenide/Graphene Heterostructures via Direct Laser Writing

Advanced Functional Materials, EarlyView.
The fabrication of patterned transition metal dichalcogenide (TMD)/graphene heterostructures via direct laser writing reveals new interface chemistry and enables efficient, customizable assembly. Selective laser irradiation of functionalized TMD/graphene triggers localized reactions, forming chemically modified interfaces.
Xin Chen, Stefan Wolff, Sofiia Zuieva, Robert Schusterbauer, Rida Shaikh, Christian E. Halbig, Anton Habel, Roland Gillen, Kathrin C. Knirsch, Ievgen Donskyi, Siegfried Eigler, Janina Maultzsch, Andreas Hirsch   +12 more
wiley   +1 more source

Text Mining and Computational Chemistry Reveal Trends in Applications of Laser Desorption/Ionization Techniques to Small Molecules. [PDF]

J Am Soc Mass Spectrom
Bergman NP, Bergquist J, Hedeland M, Palmblad M.   +3 more
europepmc   +1 more source

Non-energetic Formation of Ethanol via CCH Reaction with Interstellar H₂O Ices. A Computational Chemistry Study. [PDF]

ACS Earth Space Chem, 2022
Perrero J, Enrique-Romero J, Martínez-Bachs B, Ceccarelli C, Balucani N, Ugliengo P, Rimola A.   +6 more
europepmc   +1 more source