Journal of Mathematical Chemistry

Titel Veröffentlichungsdatum Sprache Zitate
Chirality descriptors for structure–activity relationship modeling of bioactive molecules2023/11/19English
On the variable inverse sum deg index: theory and applications2023/10/26English
In vivo brain MRS at a 1.5T clinical scanner: Optimized derivative fast Fourier transform for high-resolution spectra from time signals encoded with and without water suppression2024/03/22English
Unsteady triple diffusive oscillatory flow in a Voigt fluid2024/03/24English
On the thermal properties of pure and defective Ψ-graphene nanotubes by molecular dynamics simulations2024/03/21English
Pivotal condensation and chemical balancing2024/03/27English
Improved rotating Kratzer–Fues oscillator: eigenenergies, eigenfunctions, coherent states and ladder operators2024/03/16English
Numerical approach for time-fractional Burgers’ equation via a combination of Adams–Moulton and linearized technique2024/03/18English
Fourth-order energy-preserving time integrator for solving the sine-Gordon equation2024/03/14English
Efficient approximation of solution derivatives for system of singularly perturbed time-dependent convection-diffusion PDEs on Shishkin mesh2024/03/14English
Isomer number patterns in aromatic hydrocarbon chemistry: the numbers speak for themselves2024/03/14English
A high-order B-spline collocation method for solving a class of nonlinear singular boundary value problems2024/03/26English
Enumeration of constitutional isomers of methyl alkanes by means of alkyl biradicals: equivalence of odd and even isomer series of symmetrical methyl alkanes2023/03/20English
Phase-fitting, singularly P-stable, cost-effective two-step approach to solving problems in quantum chemistry with vanishing phase-lag derivatives up to order 62023/03/15English
A natural regularization of the adsorption integral equation with Langmuir-kernel2023/02/15English
Hess’ law requires modified mathematical rules for information entropy of interdependent chemical reactions2024/01/23English
An optimal computational method for a general class of nonlinear boundary value problems2023/07/12English
Application of floating spherical Gaussian orbital approach in redefining the atomic periodic descriptor2023/07/26English
Stereoisograms for three-membered heterocycles: IV. Half-size-subgroup method for type-itemized enumeration of oxiranes under an RS-stereoisomeric group2023/02/02English
Super-stable spline-in-tension numerical method of order three(four) for the second order nonlinear IVPs2023/01/16English
Inverse degree index: exponential extension and applications2023/02/14English
Diffusion-influenced reactions in the presence of reactivity anisotropy as spots at the poles of a rigid sphere2023/01/19English
New bounds for variable topological indices and applications2024/04/23English
Relationship between Lennard-Jones potential and physico-chemical parameters2024/04/15English
Calculation of topological indices along with MATLAB coding in QSPR analysis of calcium channel-blocking cardiac drugs2024/02/20English
The prediction of the retention time of pesticide based on the Monte Carlo method with the use of the vector of the ideality of correlation and correlation weights of local symmetry fragments2023/09/23English
An analysis of the torquoselectivity effect in a ring-opening reaction through Fermi–Dirac’s entropy: revealing the origin of the stereoselectivity.2023/09/23English
Multiple-attribute decision making for green sustainable recycling partner selection based on linguistic r, s, t-spherical fuzzy aggregation information2023/08/11English
On mixed metric dimension of crystal cubic carbon structure2023/08/14English
Third (fourth) order accurate two-step super-stable cubic spline polynomial approximation for the second order non-linear initial-value problems2023/08/28English