Results 31 to 40 of about 53,021 (214)
The Zagreb-coindex of Four Operations on Graphs
Fuzzy Optimization and Modeling, 2021 In 1972, within a study of the structure-dependency of total π-electron energy (E), it was shown that E depends on the sum of squares of the vertex degrees of the molecular graph (later named first Zagreb index), and thus provides a measure of the ...
Mobina Ghorbaninejad
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Optimizing photoexcitation conditions for time‐resolved X‐ray solution scattering experiments
FEBS Open Bio, EarlyView.Time‐resolved X‐ray solution scattering (TR‐XSS) is a powerful technique to visualize how proteins change their structure in real time after light activation. Selecting the right laser photoexcitation conditions—fluence, excitation geometry, and sample refresh rate—is critical to maximize the experimental signal while avoiding unwanted side effects ...
Matteo Levantino
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Estimating the radiative part of QED effects in systems with supercritical charge [PDF]
EPJ Web of Conferences, 2019 The effective interaction of the electron magnetic moment anomaly with the Coulomb fileld of superheavy nuclei is investigated by taking into account its dynamical screening at small distances.
Roenko Artem, Sveshnikov Konstantin
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QSPR analysis of carbon allotropes by employing molecular descriptors and information entropies
Ain Shams Engineering Journal, 2023 The inherent qualities of carbon nanosheets that come from their underlying molecular structure have drawn an enormous amount of interest from researchers.
M.P. Rahul, Joseph Clement
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Advanced Engineering Materials, EarlyView.Phase‐field simulations coupled with dislocation‐density‐based crystal plasticity modeling reproduce γ′ rafting behavior in single‐crystal Ni‐based superalloys under varied loading conditions. The model captures both macroscopic creep and microscopic morphology evolution, with results matching high‐temperature creep experiments.
Micheal Younan +5 more
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Improved McClelland and Koolen–Moulton bounds for distance energy of a graph
Journal of Inequalities and Applications, 2018 Let G be a graph with n vertices and m edges. The term energy of a graph G was introduced by I. Gutman in chemistry due to its relevance to the total π-electron energy of a carbon compound.
G. Sridhara +3 more
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Bounds of Degree-Based Molecular Descriptors for Generalized F-sum Graphs
Discrete Dynamics in Nature and Society, 2021 A molecular descriptor is a mathematical measure that associates a molecular graph with some real numbers and predicts the various biological, chemical, and structural properties of the underlying molecular graph. Wiener (1947) and Trinjastic and Gutman (
Jia Bao Liu +4 more
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Nanomaterials, 2022 The acceptor-donor-acceptor (A-D-A) type conjugated organic molecule has been widely applied in the organic optoelectronics field. A total of Nine compounds (1–9) were designed under the A-D-A framework, with the electron donor benzodithiophene as the ...
Pingping Gong +5 more
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Karl Popper and the Mechanisms of Hydrogen Embrittlement
Advanced Engineering Materials, EarlyView.Representation of the beginning of loss of ductility rather than embrittlement. Small concentrations of hydrogen in a diffusible form within iron are well‐established to harm the mechanical integrity of steels. There are theories that attempt to explain the pernicious role of hydrogen.
H. K. D. H. Bhadeshia
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Photodissociation dynamics of the NH molecule under intense VUV pulses
Physical Review Research, 2020 Photodissociation dynamics of the NH molecule excited from the triplet ground X^{3}Σ^{−} to 2^{3}Π state by resonant intense VUV pulses have been comprehensively investigated by the recently proposed theoretical treatment involving the electron-rotation ...
Yan Rong Liu +5 more
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