Results 181 to 190 of about 13,252 (232)

Ab Initio Benchmarking on Unsupported and Coronene‐Supported Silver Atomic Clusters: Interplay Between Jahn–Teller Distortions and Fluxionality

open access: yesSmall Structures, EarlyView.
The article presents a benchmark study using state‐of‐the‐art high‐level ab initio methodologies to predict infrared and Raman frequencies of subnanometric metal clusters. The importance of characterizing conical intersections in their potential energy landscapes is also highlighted, with the associated (Pseudo‐)Jahn–Teller distortions of cluster ...
Katarzyna M. Krupka   +2 more
wiley   +1 more source

Effects of Pyrolysis Control Parameters on the Structural Properties of Biomass‐Derived Activated Carbon Materials and Their Energy Applications

open access: yesThe Chemical Record, EarlyView.
Tubular pyrolysis synthesis is a widespread method to produce activated carbons (ACs). This review focuses on the different controlling parameters of the tubular pyrolysis synthesis method and their influence on the performance of synthesized ACs, thereby considering both experimental aspects and the use of plant‐based biomasses (PBBs) as feedstock ...
Meenal Gupta   +6 more
wiley   +1 more source

Critical evaluation of three cryo‐EM structures of particulate methane monooxygenase by quantum refinement

open access: yesActa Crystallographica Section D, EarlyView.
We have studied the copper sites in three cryogenic electron‐microscopy structures of particulate methane monooxygenase with quantum refinement. We show that the CuA, CuC and CuD sites are correctly modelled and that the CuB site is mononuclear in all structures, whereas we find no support for copper in the suggested trinuclear active site or two sites
Gayathri Yuvaraj   +4 more
wiley   +1 more source
Some of the next articles are maybe not open access.

On the robustness of information-theoretic authentication in quantum cryptography

Laser Physics Letters, 2022
In addition to the quantum channel, an auxiliary classical authentic communication channel is required for quantum key distribution. To provide unconditional security in quantum cryptography, which based on the fundamental laws of quantum mechanics ...
Astro Ltd, S. N. Molotkov
semanticscholar   +1 more source

Home - About - Disclaimer - Privacy