Results 71 to 80 of about 4,690,653 (292)
Localizing electron density errors in density functional theory [PDF]
Physical Chemistry Chemical Physics, 2019 The accuracy of different density functional approximations is assessed through the use of quantum chemical topology on molecular electron densities.
Rubén Laplaza +2 more
openaire +3 more sources
FEBS Letters, EarlyView.Encapsulins are protein nanocompartments that play an important role in iron storage. In the Myxococcus xanthus encapsulin system, two cargo proteins called EncB and EncC contribute to iron mineralization. Here, we show that EncB and EncC generate iron‐containing minerals with distinct chemical compositions, suggesting that the composition of stored ...
Harry B. McDowell +2 more
wiley +1 more source
FEBS Letters, EarlyView.Mycobacterial 3‐methylcrotonyl‐CoA carboxylase uses a mobile biotin‐carrying domain to shuttle a carboxyl group between two catalytic sites, enabling carboxylation of 3‐methylcrotonyl‐CoA during leucine breakdown. Cryo‐electron microscopy captures the carrier at both sites and reveals an inward loop movement that may prevent futile rebinding to the ...
Ajit Yadav +2 more
wiley +1 more source
Role of electron-electron interactions in chiral 2DEGs [PDF]
, 2008 textIn this thesis we study the effect of electron-electron interactions on Chiral two-dimensional electron gas (C2DEGs). C2DEGs are a very good description of the low-energy electronic properties of single layer and multilayer graphene systems.
Barlas, Yafis
core
AtmosphereKnowledge of ionospheric plasma altitudinal distribution is crucial for the effective operation of radio wave propagation, communication, and navigation systems.
Iurii Cherniak +7 more
doaj +1 more source
Inorganics, 2018 The electronic structures of a series of uranium hexahalide and uranyl tetrahalide complexes were simulated at the density functional theoretical (DFT) level.
Jonathan Tanti +2 more
doaj +1 more source
Electron Densities, Momentum Densities, and Density Matrices
Zeitschrift für Naturforschung A, 1993 Abstract Relationships among electron coordinate-space and momentum densities and the one-electron charge density matrix or Wigner function are examined. A knowledge of either or both densities places constraints on possible density matrices.
openaire +1 more source
Chiral separation of chloroalkanes with the chromatographic column onboard Martian rovers
FEBS Letters, EarlyView.Computer image of the Rosalind Franklin Rover of ESA's ExoMars mission. ExoMars is scheduled to land on planet Mars in Oxia Planum in 2029. This area represents an interesting spot to look for biosignatures. Investigations of ExoMars include measurement on molecular chirality. We show that chiral chloroalkanes, that have been identified on Mars, can be
Asma Merzougui +4 more
wiley +1 more source
Artificial molecular machines and motors—Design and control of nanoscale motion
FEBS Letters, EarlyView.Molecules are constantly moving because of thermal fluctuations, but random motion alone cannot be exploited to perform directional tasks. Artificial molecular machines use chemical, electrical, or light energy to bias this motion. Molecular shuttles, rotary motors, and supramolecular pumps illustrate how nanoscale movement can be controlled and ...
Leonardo Andreoni, Alberto Credi
wiley +1 more source
Solar-Terrestrial Physics, 2018 The work is devoted to the development of a fundamentally new way of modeling the ionospheric D-region – deterministic-probabilistic. The results of Ne calculations using this technique are analyzed.
Bekker S.Z.
doaj +1 more source