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1001
Theoretical Study of C2H5 + NCO Reaction: Mechanism and Kinetics
Published 2018-01-01“…The calculated results show that both the N and O atoms of the NCO radical can attack the C atom of C2H5 via a barrierless addition mechanism to form two energy-rich intermediates IM1 C2H5NCO (89.1 kcal/mol) and IM2 C2H5OCN (64.7 kcal/mol) on the singlet PES. …”
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1002
Photophysical and Electrochemical Studies of Multinuclear Complexes of Iron(II) with Acetate and Extended Conjugated N-Donor Ligands
Published 2015-01-01“…Variable-temperature magnetic susceptibility data suggested that 1 was made up of 56.8% high-spin (HS) and 43.2% low-spin (LS) Fe(II) atoms at 294 K and has a moderate antiferromagnetic interaction (J = −81.2 cm−1) between the two Fe(II) centres, while 2 was made up of 27.7% HS and 72.3% LS Fe(II) atoms at 300 K. …”
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1003
Origin of the formation of isostructural bcc-Fe+bcc-Cu nanocomposites in Fe–Cu alloy via vacuum co-deposition
Published 2025-01-01“…Analysis of the lattice parameter of the single bcc structure indicates that only a portion of the copper atoms dissolve in the bcc-Fe lattice, while undissolved copper atoms form bcc-Cu inclusions that are coherent with the bcc-Fe lattice. …”
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1004
Mechanical Properties in Nuclear Installation and the Relevant Measurement Methods
Published 2016-01-01Get full text
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1005
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1006
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1007
A Turn-On Fluorescent Sensor for Hg2+ Based on Graphene Oxide
Published 2017-01-01“…A graphene oxide- (GO-) boradiazaindacenes (BODIPY) charge-transfer complex (BGO) has been easily synthesized, and the structure of BGO was confirmed by FT-IR and atomic force microscopy (AFM). Moreover, the BGO was found that could be used as a turn-on fluorescent sensor for Hg2+. …”
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1008
Topological Indices of Families of Bistar and Corona Product of Graphs
Published 2022-01-01“…In this study, we study certain degree-based topological indices such as Randić index, Zagreb indices, multiplicative Zagreb indices, Narumi–Katayama index, atom-bond connectivity index, augmented Zagreb index, geometric-arithmetic index, harmonic index, and sum-connectivity index for the bistar graphs and the corona product KmoKn′, where Kn′ represents the complement of complete graph Kn.…”
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1009
Dual-Energy CT for Evaluation of Intra- and Extracapsular Silicone Implant Rupture
Published 2016-01-01“…Dual-energy CT allows determination of density and atomic number of tissue and can provide material composition information. …”
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1010
Sn(SO4)2·2H2O from synchrotron powder data
Published 2024-12-01“…Hydrogen bonds of moderate strength between the water molecules and sulfate O atoms hold the layers together.…”
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1011
Synthesis Characterization and Biological Investigations on Metal Complexes of 2-[(8-Hydroxy-1-quinolin-5-yl) methyl]-1H-isoindole-1, 3 (2H) dione
Published 2009-01-01“…Coordination of the ligand atom to the metal ion was deduced by IR and reflecting spectral data. …”
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1012
Inhibitory Effect of Curcumin-Cu(II) and Curcumin-Zn(II) Complexes on Amyloid-Beta Peptide Fibrillation
Published 2014-01-01“…FTIR spectroscopy and atomic force microscopy (AFM) observations demonstrate that the complexes can inhibit the transition from less structured oligomers to β-sheet rich protofibrils which act as seeding factors for further fibrillization. …”
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1013
Optimal control of a Bose-Einstein condensate in an opticallattice: the non-linear and two-dimensional cases
Published 2025-02-01“…We numerically study the optimal control of an atomic Bose-Einstein condensate in an optical lattice. …”
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1014
A Unifying Polarization Formalism for Electric and Magnetic Multipole Interactions
Published 2025-01-01“…We rely on the spherical-wave expansion to derive the tensor form of the operator describing the interaction of the atomic system with a polarized radiation field, which naturally leads to the introduction of spherical tensors describing the polarization properties of the interacting field. …”
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1015
All product eigenstates in Heisenberg models from a graphical construction
Published 2025-01-01“…By this, we construct spin systems with extensive degree of degeneracy linked to exotic condensates which could be studied in atomic gases and quantum spin lattices.…”
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1016
On a Neutral Particle with a Magnetic Quadrupole Moment in a Uniform Effective Magnetic Field
Published 2016-01-01“…Quantum effects on a Landau-type system associated with a moving atom with a magnetic quadrupole moment subject to confining potentials are analysed. …”
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1017
Generalized uncertainty principle and the Zeeman effect: Relativistic corrections unveiled
Published 2025-03-01“…In this paper, we calculate the relativistic corrections to the Zeeman effect for hydrogen-like atoms based on the Generalized Uncertainty Principle (GUP). …”
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1018
Adsorption of Lennard-Jones Fluids in Carbon Slit Pores of a Finite Length. A Computer Simulation Study
Published 2005-02-01“…Argon was used as a model for Lennard-Jones fluids, while the adsorbent was modelled as a finite carbon slit pore whose two walls were composed of three graphene layers with carbon atoms arranged in a hexagonal pattern. The Lennard-Jones (LJ) 12–6 potential model was used to compute the interaction energy between two fluid particles, and also between a fluid particle and a carbon atom. …”
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1019
Mechanical Characterization of Reduced Graphene Oxide Using AFM
Published 2019-01-01“…Nanoindentation coupled with Atomic Force Microscopy was used to study stiffness, hardness, and the reduced Young’s modulus of reduced graphene oxide. …”
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1020
Development of CFD porous model parameters of Korean PWR spent nuclear fuel assemblies for thermal analysis
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