Results 71 to 80 of about 4,920,547 (298)
Purpose. The object of the study are electron density depletions (‘holes’) occurring in the ionospheric F-region under the action of rocket exhaust products.
L. F. Chernogor
doaj +1 more source
Localizing electron density errors in density functional theory [PDF]
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
The Shewanella oneidensis Fic enzyme SoFic targets the switch‐I region of EF‐Tu for AMPylation
Fic enzymes mediate diverse post‐translational modifications across all domains of life, including AMPylation. Prokaryotic EF‐Tu can be AMPylated and deAMPylated by the conserved Fic enzyme SoFic. Structural and biochemical approaches were used to characterize the effect of AMPylation on EF‐Tu, SoFic's enzymatic activities, and the enzyme‐target ...
Svenja Runge +6 more
wiley +1 more source
The electron density: experimental determination and theoretical analysis [PDF]
Two related lines of research in experimental electron density determination are reported in this thesis. In the first case, the well-proven and popular multipole modeling technique is applied to three high resolution, single-crystal X-ray diffraction ...
Smith, Gary Thomas
core
Chiral separation of chloroalkanes with the chromatographic column onboard Martian rovers
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
Bond orders in metal–metal interactions through electron density analysis
The metal–metal bond is central in the chemistry of polymetallic complexes. Many structural investigations, both experimental and theoretical, have been carried out with the purpose of understanding this interaction in more detail and of being able to ...
Macchi, P. +3 more
core +1 more source
Knowledge 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
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
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
Synechocystis strains deficient in succinate dehydrogenase (SDH) secrete more succinate than the WT under dark anaerobic conditions, supporting that SDH then primarily acts as SDH, not as a fumarate reductase. L‐aspartate oxidase (Laspo) from Synechocystis is functional under anaerobic conditions, reducing fumarate to succinate.
Kateryna Kukil +3 more
wiley +1 more source

