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381
Enhanced Chemical Insights into Fullerene Structures via Modified Polynomials
Published 2024-01-01“…Topological or numerical descriptors are used to associate important physicomolecular restrictions with important molecular structural features such as periodicity, melting and boiling points, and heat content for various 2 and 3D molecular preparation graphs or networking. The degree of an atom in a molecular network or molecular structure is utilized in this study to calculate the degree of atom-based numerics. …”
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382
85Kr Thickness Gauge Source in Measuring the Areal Density of Lithium Battery Electrodes
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383
Study of Hardness of Superhard Crystals by Topological Indices
Published 2021-01-01“…The aim of this paper is to study the hardness of some superhard BCx crystals by means of topological indices, specifically Randić index and atom-bond connectivity index.…”
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384
Investigating the effect of electric field amplitude on the thermal behavior of paraffin/Cu nanostructure in a tube containing non-connected rotating ribs using molecular dynamics...
Published 2025-06-01“…The results indicate that as external electric field amplitudes increased from 0.01 to 0.05 V/m, various parameters of the simulated atomic sample show notable variations. Specifically, maximum density decreased from 0.0848 to 0.0836 atom/ų, while maximum velocity increased from 0.00496 to 0.00519 atom/Å. …”
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385
fragSMILES as a chemical string notation for advanced fragment and chirality representation
Published 2025-01-01“…However, such ‘atom-level’ string representations could have certain limitations, in terms of capturing information on chirality, and synthetic accessibility of the corresponding designs. …”
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386
Enhancing CO<sub>2</sub> Adsorption on MgO: Insights into Dopant Selection and Mechanistic Pathways
Published 2024-12-01“…Pristine and C-doped MgO engaged CO<sub>2</sub> through surface O atoms, while Al-, Si-, and Ti-doped MgO predominantly relied on dopant–O atom interactions. …”
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387
Metal‐Mediated Chlorine Transfer for Molten Salt‐Driven Thermodynamic Change on Silicon Production
Published 2025-01-01“…Above its melting temperature (Tm ≈ 192 °C), three AlCl3 molecules coordinate with each metal (M) atom (e.g., conventional Al and Mg, or even thermodynamically unfeasible Zn) to form metal‐AlCl3 complexes, M(AlCl3)3. …”
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388
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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389
SYSTEM OF PRE-UNIVERSITY TRAINING “SCHOOL – MEPHI”
Published 2017-07-01“…The paper considers the implementation of the primary and secondary education programs (Pre-Universitary, engineering classes, AtomClasses, distance education in Network school), analyzes the methods of selection and support for students who have shown creativity and interest in engineering.…”
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390
Preparation and Antimicrobial Activity of s-Triazine Hydrazones of 7-Hydroxy Coumarin and Their Metal Complexes
Published 2009-01-01“…The ligand system co-ordinates with the metal ion in a bidentate manner through the nitrogen atom of hydrazone group.…”
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391
Development of Removable Hollow Cathode Discharge Apparatus for Sputtering Solid Metals
Published 2019-01-01“…The occurrence of sputtering resulted in the metal atom in gas phase. With Ar buffer gas, the favorable condition of laser absorption spectroscopy for the gas phase sample was investigated.…”
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392
Physics for Scientists and Engineers with Modern physics /
Published 2008Table of Contents: “…Introduction, measurement, estimating -- Mechanics -- Describing motion -- Kinematics in two or three dimensions -- Dynamics -- Using Newton's laws -- Gravitation and Newton's synthesis -- Work and energy -- Conservation of energy -- Linear momentum -- Rotational motion -- Angular momentum -- Static equilibrium -- Fluids, vibrations, waves, sound -- Fluids -- Oscillations -- Wave motion -- Sound -- Kinetic theory and thermodynamics -- Temperature, thermal expansion, and the ideal gas law -- Kinetic theory of gases -- Heat and the first law of thermodynamics -- Second law of thermodynamics -- Electricity and magnetism -- Electric charge and electric field -- Gauss's law -- Electric potential -- Capacitance, dielectrics, electric energy storage -- Electric currents and resistance -- DC circuits -- Magnetism -- Sources of magnetic field -- Electromagnetic induction and faraday's Law -- Inductance, electromagnetic oscillations -- Maxwell's equations and electromagnetic waves -- Light -- Lenses and optical instruments -- The wave nature of light -- Diffraction and polarization -- Modern physics -- Special theory of relativity -- Early quantum theory and models of the atom -- Quantum mechanics -- Quantum mechanics of atoms -- Molecules and solids -- Nuclear physics and radioactivity -- Nuclear energy -- Elementary particles -- Astrophysics and cosmology.…”
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393
Cardinality-constrained structured data-fitting problems
Published 2024-05-01“…A memory-efficient solution framework is proposed for the cardinality-constrained structured data-fitting problem. Dual-based atom-identification rules reveal the structure of the optimal primal solution from near-optimal dual solutions, which allows for a simple and computationally efficient algorithm that translates any feasible dual solution into a primal solution satisfying the cardinality constraint. …”
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394
Fluorescent Thiol-Derivatized Gold Clusters Embedded in Polymers
Published 2013-01-01“…Differently from the thiolate precursors, such cluster compounds show very intensive visible fluorescence characteristics that can be tuned by alloying the gold clusters with silver atoms or by conjugating the electronic structure of the metallic core with unsaturated electronic structures in the organic ligand through the sulphur atom. …”
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395
Study of Vanadium Carbide Structures Based on Ve and Ev-Degree Topological Indices
Published 2021-01-01“…In particular, we have computed the closed forms of Zagreb, Randic, geometric-arithmetic, and atom-bond connectivity (ABC) indices of vanadium carbide structure based on ev and ve degrees. …”
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396
Computing Edge Version of Resolvability and Double Resolvability of a Graph
Published 2022-01-01“…The chemical structure can be depicted using nodes (which represent the atom) and links (which represent the many types of bonds). …”
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397
On Reverse Valency Based Topological Characterization of a Chemical Compound
Published 2022-01-01“…In this paper, we give explicit expression of the reverse general Randic index, the reverse atom bond connectivity index, the reverse geometric arithmetic index, the reverse forgotten index, the reverse Balaban index, the reverse augmented index, and different types of reverse Zagreb indices of the metal-organic framework M1TPyP-M2 (TPyP = 5, 10, 15, 20-tetrakis (4-pyridyl) porphyrin and M1, M2 = Fe and Co). …”
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398
Study of Nonlinear Deformation of FCC-AuCuSi under Pressure by the Statistical Moment Method
Published 2021-01-01“…In this work, we build the model and derive the theory of nonlinear deformation for substitutional alloy AB with interstitial atom C and face-centered cubic structure under pressure from the statistical moment method. …”
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399
Closed-channel parameters of Feshbach resonances
Published 2025-01-01“…A photoassociation experiment is proposed to measure this parameter in ultracold atom systems.…”
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400
Study of Ge-Sb-Te Superlattice Structure Based on Topological Descriptors
Published 2022-01-01“…We have calculated the Zagreb, geometric-arithmetic, Randic, and atom-bond connectivity indices of the Ge-Sb-Te superlattice structure using the ev- and ve-degrees. …”
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