Gamma-Ray and Thermal Neutron Shielding of Fe-Based Bilayer Composites with a Boron-Enriched Matrix and Tungsten Surface Coatings: Lead Benchmarks Included. [PDF]
Materials (Basel)Chai J +5 more
europepmc +1 more source
Build-up shielding-factors, physical, & mechanical properties of Er<sup>3+</sup> doped borophosphate glasses with varied Bi<sub>2</sub>O<sub>3</sub> content. [PDF]
RSC AdvAbo-Mosallam HA +3 more
europepmc +1 more source
Investigation of optical, structural, and radiation shielding properties of novel polyvinyl alcohol and cesium dichromate Cs<sub>2</sub>Cr<sub>2</sub>O<sub>7</sub> nanocomposite films. [PDF]
Sci RepSoliman TS, Zakaly HMH.
europepmc +1 more source
Self-supervised representation learning reveals explainable physiological structure in high-dimensional magnetocardiography. [PDF]
NPJ Digit MedKranz DD +7 more
europepmc +1 more source
Beyond Deshielding: NMR Evidence of Shielding in Hydridic and Protonic Hydrogen Bonds. [PDF]
J Chem Theory ComputManna D +6 more
europepmc +1 more source
A comparative analysis of gamma and neutron radiation shielding properties of Gd<sub>2</sub>O<sub>3</sub> nanoparticles within HDPE composites irradiated with argon ion beam. [PDF]
Sci RepShabib M +4 more
europepmc +1 more source
Nuclear Magnetic Shielding Constants with the Polarizable Density Embedding Model
Journal of Chemical Theory and Computation, 2022 We extend the polarizable density embedding (PDE) model to support the calculation of nuclear magnetic resonance (NMR) shielding constants using gauge-including atomic orbitals (GIAOs) within a density functional theory (DFT) framework. The PDE model divides the total system into fragments, describing some by quantum mechanics (QM) and the others ...
Frederik Kamper Jørgensen +3 more
core +6 more sources