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Predicting Atomic Charges in MOFs by Topological Charge Equilibration
An atomic charge prediction method is presented that is able to accurately reproduce ab‐initio‐derived reference charges for a large number of metal–organic frameworks. Based on a topological charge equilibration scheme, static charges that fulfill overall neutrality are quickly generated.
Babak Farhadi Jahromi +2 more
wiley +1 more source
A novel two-way functional linear model with applications in human mortality data analysis. [PDF]
Yan X, Yu J, Ding W, Wang H, Zhao P.
europepmc +1 more source
This study demonstrates coherent control of 15N nuclear spins coupled to VB−${\text{V}}_{\text{B}}^{-}$ centers in isotope‐enriched hexagonal boron nitride. Selective addressing via spin‐state mixing enables Rabi driving, quantum gates, and coherence times exceeding 10 μs$\umu{\rm s}$.
Adalbert Tibiássy +6 more
wiley +1 more source
Adsorption Characteristics of Heavy Metals onto Functionalized Microplastics. [PDF]
Yang W +10 more
europepmc +1 more source
Functional Analysis of Adipokinetic Hormone and Its Receptor Genes in Regulating Energy Metabolism Under Stress Conditions in <i>Dendroctonus armandi</i>. [PDF]
Wang L, Tang M, Chen H.
europepmc +1 more source
Effects of lithium chloride on queen egg-laying performance and worker honey bee behavior. [PDF]
Sedat S +4 more
europepmc +1 more source
An Optical Water Type-Based Deep Learning Framework for Enhanced Turbidity Estimation in Inland Waters from Sentinel-2 Imagery. [PDF]
Ma Y +5 more
europepmc +1 more source
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Thrust-Vectoring Nozzle Performance Modeling
Journal of Propulsion and Power, 2003A polytropic analytical equation system for the internal flow of nozzles, inlets, and ducts has been developed through an analysis of the compressible flow equations including the friction and area change driving potentials. These equations are verified through comparison with experimental data and numerical simulations using FLUENT 5.0.
Erich A. Wilson +2 more
openaire +1 more source
Cache performance of vector processors
[1988] The 15th Annual International Symposium on Computer Architecture. Conference Proceedings, 1988An instruction-level simulator for IBM 3090 with VF (vector facility) has been developed for studying the performance of vector processors and their memory hierarchies. Initial use of the simulator is to understand the program locality of real vectorized applications.
K. So, V. Zecca
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