Results 241 to 250 of about 4,920,547 (298)

Accuracy of Photon Dose Calculation on Photon-Counting Computed Tomography-A Comparison Study Based on Virtual Monoenergetic and Electron Density (Rho) Images for Pancreatic Cases. [PDF]

Adv Radiat Oncol
Wu X, Wohlfahrt P, Shah J, Lofino L, Palta M, Wu Q, Wu QJ, Sheng Y.   +7 more
europepmc   +1 more source

Dual-energy computed tomography-derived electron density in the differential diagnosis of focal hepatic lesions: initial experience. [PDF]

Quant Imaging Med Surg
Ohtani T, Ozaki K, Ishida T, Takahashi K, Shimada M, Kanai S, Wakabayashi T, Takata K, Tateishi T, Tsujikawa T.   +9 more
europepmc   +1 more source

LAGNet: better electron density prediction for LCAO-based data and drug-like substances. [PDF]

J Cheminform
Ushenin K, Khrabrov K, Tsypin A, Ber A, Rumiantsev E, Kadurin A.   +5 more
europepmc   +1 more source

Resonance Structures and Electron Density Analysis

Angewandte Chemie International Edition, 2009
In perfect resonance: The electron density distribution is typically used to analyze chemical bonding, even if strong electron delocalization occurs. The electron densities and electric potentials of picoline and the picolyl anion (see picture) have been analyzed and a detailed description of picolyl lithium complexes has been derived. The next goal is
Piero Macchi, Macchi, Piero, Macchi P
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Aromaticity and Electron Density of Hypericin

Journal of Natural Products, 2019
The influence of the substituents on the geometry of the central ring system of hypericin has been analyzed. Substitution that causes flattening of the hypericin central rings is connected with introducing the aromatic character of the empty rings. All the hypericin rings have an aromatic character illustrated by the Harmonic Oscillator Measure of ...
Sebastian Szymanski, Irena Majerz
openaire   +3 more sources

From molecular electron density to electron momentum density

Physical Review A, 1984
The scope of the quasiclassical procedure previously used by us for estimating atomic-electron momentum densities exclusively from the knowledge of electron densities has been extended to diatomic molecules. This procedure yields spherically averaged molecular-electron momentum density from which the corresponding Compton profile and expectation values
Rajeev K. Pathak, Shridhar P. Gejji, Shridhar R. Gadre   +2 more
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Electron Density Analysis

2013
The representation of matter at an atomic or a subatomic level has been a permanent concern since antiquity. Such a description is necessary to understand the structure and properties of chemical systems. For a long time, it relied on speculations rather than on experimental facts.
B Silvi, R J Gillespie, C Gatti
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Upper bounds to the electron-electron coalescence density in terms of the one-electron density function

Physical Review A, 1994
An expression that allows one to evaluate the electron-electron coalescence density in terms of the one-electron density function at the Hartree-Fock level is derived. Then it is shown, by calculation with highly accurate wave functions of He-like ions, that this expression represents a simple and accurate upper bound to the electron-electron ...
, Ugalde, , Sarasola
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