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701
A Systematic Study of Moderation Effects On Neutronic Performance of UO[subscript 2] Fueled Lattices
Published 2012“…To change the moderator-to-fuel ratio, which is characterized by the hydrogen-to-heavy-metal (H/HM) atom number ratio, various methods are adapted including varying water density, fuel density, fuel rod diameter, and fuel rod pitch. …”
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Technical Report -
702
Timekeeping and accelerometry with robust light pulse atom interferometers
Published 2015Get full text
Thesis -
703
Synthesis, GCMS, spectroscopic, electronic properties, chemical reactivity, RDG, topology and biological assessment of 1-(3,6,6-trimethyl-1,6,7,7a-tetrahydrocyclopenta[c]pyran-1-yl...
Published 2023-12-01“…The optimized structure with the minimum energy confirmation was carried out using Potential scan energy (PES) analysis and the optimized with atom numbering scheme of TTCPE discovered strength of the bond parameters and compared with XRD data. …”
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Article -
704
Dynamics of the Ligand Excited States Relaxation in Novel β-Diketonates of Non-Luminescent Trivalent Metal Ions
Published 2023-05-01“…A significant correspondence between the energies of the ligand’s excited states and the luminescence quantum yields to the metal ion’s atomic numbers was found using molecular spectroscopy techniques. …”
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Article -
705
Spin-Orbit Coupling and Spin-Polarized Electronic Structures of Janus Vanadium-Dichalcogenide Monolayers: First-Principles Calculations
Published 2022-01-01“…The vertical splitting of band-edge at K point can be enhanced by a stronger SOC of the chalcogen elements with larger atom numbers for constituting Janus V-dichalcogenide monolayers. …”
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Article -
706
Raman Cooling to High Phase Space Density
Published 2022“…Raman sideband cooling in a 2D lattice is shown to lead to nonthermalized clouds when the atom number and trap frequencies are sufficiently large. …”
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Thesis -
707
Spin-orbit coupling and spin-polarized electronic structures of Janus vanadium-dichalcogenide monolayers: first-principles calculations
Published 2022“…The vertical splitting of band-edge at K point can be enhanced by a stronger SOC of the chalcogen elements with larger atom numbers for constituting Janus V-dichalcogenide monolayers. …”
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Journal Article -
708
Atomic and electronic structure of grain boundaries in gallium arsenide
Published 1994“…Ga and As being only two atomic numbers apart have similar scattering factors and cannot be easily distinguished in the experimental image. …”
Thesis -
709
Design of Novel Phosphatidylinositol 3-Kinase Inhibitors for Non-Hodgkin’s Lymphoma: Molecular Docking, Molecular Dynamics, and Density Functional Theory Studies on Gold Nanopartic...
Published 2023-03-01“…The best interaction with gold was observed at the oxygen atom number 5 with −29.42 Kcal/mol. Further in vitro and in vivo investigations are recommended to be carried out to verify the anticancer activity of this analogue.…”
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Article -
710
Hydrothermally synthesized lanthanide-incorporated multifunctional zirconia nanoparticles: Potential candidate for multimodal imaging
Published 2022-07-01“…Rare earth elements have large atomic numbers, and their incorporation can enhance the X-ray attenuation characteristics of their host along with their optical properties. …”
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Article -
711
Accurate Image Reconstruction in Dual-Energy CT with Limited-Angular-Range Data Using a Two-Step Method
Published 2022-12-01“…Finally, using the basis images reconstructed, we create virtual monochromatic images (VMIs), and estimate physical quantities such as iodine concentrations and effective atomic numbers within the object imaged. We conduct numerical studies using two digital phantoms of different complexity levels and types of structures. …”
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Article -
712
Identification of potent aldose reductase inhibitors as antidiabetic (Anti-hyperglycemic) agents using QSAR based virtual Screening, molecular Docking, MD simulation and MMGBSA app...
Published 2022-06-01“…The QSAR model analysis revealed some of the molecular features that play crucial role in deciding inhibitory potency of the molecule against AR such as; hydrophobic Nitrogen within 2 Å of the center of mass of the molecule, non-ring Carbon separated by three and four bonds from hydrogen bond donor atoms, number of sp2 hybridized Oxygen separated by four bonds from sp2 hybridized Carbon atoms, etc. 14 in silico generated hits, using a compound 18 (a most potent ARi from present dataset with pIC50 = 8.04 M) as a template, on QSAR based virtual screening (QSAR-VS) furnished a scaffold 5 with better ARi activity (pIC50 = 8.05 M) than template compound 18. …”
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Article -
713
Recent Advances in Synthesis, Structure Analysis, and Catalytic Reaction Mechanism of Metal Nanoclusters Based on Soft Ionization Mass Spectrometry
Published 2024-01-01“…In cluster chemistry, the researchers have also introduced this technique into the study of metal nanoclusters with precise atomic numbers, which have played an important role in the synthesis of clusters and the analysis of their structures as well as reaction mechanisms. …”
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Article -
714
The state of metabolic parameters of the blood in white rats under conditions of long-term oral administration of gadolinium orthovanadate nanoparticles under food stress
Published 2023-03-01“…One of these substances was rare earth elements (REE, atomic numbers 57–71) due to their low toxicity and protective and antioxidant properties. …”
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Article -
715
Trivalent Ions and Their Impacts on Effective Conductivity at 300 K and Radio-Protective Behaviors of Bismo-Borate Glasses: A Comparative Investigation for Al, Y, Nd, Sm, Eu
Published 2021-10-01“…Moreover, effective atomic numbers and effective atomic weight, along with exposure and energy absorption buildup factors, were determined in the same energy range. …”
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Article -
716
Predicting the fuel performance of coal-based liquids using the ML-QSPR method
Published 2024-03-01“…The structural fragments, molecular weights and atomic numbers of the coal-based liquid molecules obtained by the constructed molecular descriptors are used as input features in Machine Learning (ML) to establish a method of predicting the quantitative molecular structure-property relationship (ML-QSPR) of the coal-based liquids, which achieves the fast and accurate prediction of four properties, namely, the lower heating value (LHV), the density of the liquid (ρ), the flash point (FP) and the cetane number (CN). …”
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Article -
717
Formamidinium Lead Halide Perovskite Nanocomposite Scintillators
Published 2022-06-01“…Conventional inorganic scintillators have a fixed emission wavelength and require expensive, high-temperature synthesis; plastic scintillators, while fast, inexpensive, and robust, have low atomic numbers, limiting their X-ray stopping power. Formamidinium lead halide perovskite nanocrystals show promise as scintillators due to their high X-ray attenuation coefficient and bright luminescence. …”
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Article -
718
High-Temperature Optical Spectra of Diatomic Molecules: Influence of the Avoided Level Crossing
Published 2020-06-01“…Through the comparison of our theoretical and experimental spectra, we identified all observed spectral features and determined the atoms’ number density and gas temperature.…”
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Article -
719
Some problems in the theory of the solid state
Published 1965“…It was not obvious a priori how the constant of proportionality should vary with the atomic numbers and electronegativities of the atoms composing the crystal, and so we took it to be independent of these quantities; we chose it by examining the results of calculations on silicon, germanium, and tin using various different values of C. …”
Thesis