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An approach to chemical hardness through shannon's entropy.
- Published in:
- Journal of Mathematical Chemistry, 2023, v. 61, n. 8, p. 1726, doi. 10.1007/s10910-023-01488-2
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Exact solutions of the Schrödinger equation with a complex periodic potential.
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- Journal of Mathematical Chemistry, 2023, v. 61, n. 8, p. 1684, doi. 10.1007/s10910-023-01483-7
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Graph derivative indices interpretation from the quantum mechanics perspective.
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- Journal of Mathematical Chemistry, 2023, v. 61, n. 8, p. 1739, doi. 10.1007/s10910-023-01489-1
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Two different types of kinetics, where the initial rate increases faster or slower than the reactant concentration, can coexist on bell-shaped kinetic dependencies.
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- Journal of Mathematical Chemistry, 2023, v. 61, n. 8, p. 1758, doi. 10.1007/s10910-023-01491-7
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- Article
A possible way to quantify the philicity using molecular quantum similarity and chemical reactivity indices.
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- Journal of Mathematical Chemistry, 2023, v. 61, n. 8, p. 1665, doi. 10.1007/s10910-023-01482-8
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- Article
A modified cusp condition for the single density equations of DFT and orbital-free DFT for atoms.
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- Journal of Mathematical Chemistry, 2023, v. 61, n. 8, p. 1717, doi. 10.1007/s10910-023-01487-3
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- Article
Covalent organic frameworks: topological characterizations, spectral patterns and graph entropies.
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- Journal of Mathematical Chemistry, 2023, v. 61, n. 8, p. 1633, doi. 10.1007/s10910-023-01477-5
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- Article
Two-step, fourteenth-order, phase-fitting procedure with high efficiency and minimal cost for chemical problems.
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- Journal of Mathematical Chemistry, 2023, v. 61, n. 8, p. 1797, doi. 10.1007/s10910-023-01486-4
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- Article
Accurate and efficient flux-corrected finite volume approximation for the fragmentation problem.
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- Journal of Mathematical Chemistry, 2023, v. 61, n. 8, p. 1696, doi. 10.1007/s10910-023-01485-5
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- Article
Applicability of noninteger bessel type orbital basis sets: numerical and analytical approaches.
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- Journal of Mathematical Chemistry, 2023, v. 61, n. 8, p. 1672, doi. 10.1007/s10910-023-01484-6
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- Article