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Showing below up to 50 results in range #1 to #50.

1. On the thermal properties of pure and defective \(\Psi\)-graphene nanotubes by molecular dynamics simulations: Label: en
2. Numerical approach for time-fractional Burgers' equation via a combination of Adams-Moulton and linearized technique: Label: en
3. Improved rotating Kratzer-Fues oscillator: eigenenergies, eigenfunctions, coherent states and ladder operators: Label: en
4. Efficient approximation of solution derivatives for system of singularly perturbed time-dependent convection-diffusion PDEs on Shishkin mesh: Label: en
5. Adaptive second derivative multistep methods for solving stiff chemical problems: Label: en
6. Correction to: ``The dual descriptor potential: Label: en
7. The dual descriptor potential: Label: en
8. Solving the Mostar index inverse problem: Label: en
9. Polyhedral geometry and combinatorics of an autocatalytic ecosystem: Label: en
10. A new 2-level implicit high accuracy compact exponential approximation for the numerical solution of nonlinear fourth order Kuramoto-Sivashinsky and Fisher-Kolmogorov equations: Label: en
11. Isomer number patterns in aromatic hydrocarbon chemistry: the numbers speak for themselves: Label: en
12. Pure quadratization and solution of ordinary differential equations by probabilistic evolution theory with concurrent computation of coefficients using exact arithmetic: Label: en
13. An alternative approach to normalizing the Coulomb \(R_{n\ell}(r)\) radial solutions: Label: en
14. Inductive proof of Borchardt's theorem: Label: en
15. An exceedingly effective and inexpensive two-step, fourteenth-order phase-fitting method for solving quantum chemical issues: Label: en
16. An implicit scheme for time-fractional coupled generalized Burgers' equation: Label: en
17. Spectral approximation scheme for a hybrid, spin-density Kohn-Sham density-functional theory in an external (nonuniform) magnetic field and a collinear exchange-correlation energy: Label: en
18. An efficient multi-derivative numerical method for chemical boundary value problems: Label: en
19. Quantifying the distortion by spin-orbit and spin-spin coupling in molecular clusters using molecular quantum similarity: Label: en
20. Two energies for conjoining boron nitride nanotorus and nanotube: Label: en
21. Comparative study of elastic properties of some inorganic and organic molecular crystals from EOS: Label: en
22. General relationships between the kinetic characteristics of bulk and geminate recombination of radicals in solutions: Label: en
23. Weakly reversible single linkage class realizations of polynomial dynamical systems: an algorithmic perspective: Label: en
24. Why are the local hyper-softness and the local softness more appropriate local reactivity descriptors than the dual descriptor and the Fukui function, respectively?: Label: en
25. Wavelet-based mathematical analysis of immobilized enzymes in porous catalysts under nonlinear Michaelis-Menten kinetics: Label: en
26. Might molecular symmetry operations exist ``partially?: Label: en
27. On the connectivity of the disguised toric locus of a reaction network: Label: en
28. Numerical solution of some stiff systems arising in chemistry via Taylor wavelet collocation method: Label: en
29. Improved energy formula for highly excited vibrational states of Kratzer-Fues oscillator: Label: en
30. Editorial to the special issue of the Journal of Mathematical Chemistry ``In Memoriam János Pipek: Label: en
31. Solving singular boundary value problems using higher-order compact finite difference schemes with a novel higher-order implementation of Robin boundary conditions: Label: en
32. The cut method on hypergraphs for the Wiener index: Label: en
33. Characteristic polynomials, spectral-based Riemann-zeta functions and entropy indices of \(n\)-dimensional hypercubes: Label: en
34. Highly efficient, singularly P-stable, and low-cost phase-fitting two-step method of 14th order for problems in chemistry: Label: en
35. On the information obtained using Shannon's entropy through spin density: Label: en
36. Similarity analysis of chemical elements based on compounds network: Label: en
37. On the efficient and accurate determinant evaluation of periodic tridiagonal Toeplitz matrices: Label: en
38. Average energy and Shannon entropy of a confined harmonic oscillator in a time-dependent moving boundary: Label: en
39. Two-step, fourteenth-order, phase-fitting procedure with high efficiency and minimal cost for chemical problems: Label: en
40. Two different types of kinetics, where the initial rate increases faster or slower than the reactant concentration, can coexist on bell-shaped kinetic dependencies: Label: en
41. Graph derivative indices interpretation from the quantum mechanics perspective: Label: en
42. An approach to chemical hardness through Shannon's entropy: Label: en
43. Fermi-Dirac entropy as a measure of electron interactions: Label: en
44. Phase-fitting, singularly P-stable, cost-effective two-step approach to solving problems in quantum chemistry with vanishing phase-lag derivatives up to order 6: Label: en
45. Shape analysis of an axisymmetric pendant drop using minimization of free energy: Label: en
46. Information-theoretic spreading measures of a particle confined in a 3D infinite spherical well: Label: en
47. Stereoisograms for three-membered heterocycles. V: Factor-group method for type-itemized enumeration of oxiranes under an \textit{RS}-stereoisomeric group: Label: en
48. A robust numerical technique for weakly coupled system of parabolic singularly perturbed reaction-diffusion equations: Label: en
49. Analytical solutions of the molecular Kratzer-Feus potential by means of the Nikiforov-Uvarov method: Label: en
50. A mathematical investigation of Landauer's principle: Label: en