OOIR: Observatory of International Research

Papers

(The TQCC of Journal of Mathematical Chemistry is 4. The table below lists those papers that are above that threshold based on CrossRef citation counts [max. 250 papers]. The publications cover those that have been published in the past four years, i.e., from 2021-11-01 to 2025-11-01.)

Article	Citations
A cost-efficient numerical algorithm for the determinants of heptadiagonal matrices with Toeplitz structure	56
A low-cost, two-step fourteenth-order phase-fitting approach to tackling problems in chemistry	53
Graph realization of sets of integers	36
Bonding alkane attributes with topological indices: a statistical intervention	30
Information-theoretic spreading measures of a particle confined in a 3D infinite spherical well	27
A novel approach for solving nonlinear singular boundary value problems arising in various physical models	25
Positive equilibria of power law kinetic systems with kinetics-based decompositions	24
3D quantitative structure–activity relationships study on anti-gastric cancer of chrysin derivatives	23
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 fragments	22
On properties of the first inverse Nirmala index	21
High-order symmetric and energy-preserving collocation integrators for the second-order Hamiltonian system	19
Polyhedral geometry and combinatorics of an autocatalytic ecosystem	18
Dendrimer eigen-characteristics	17
Two different types of kinetics, where the initial rate increases faster or slower than the reactant concentration, can coexist on bell-shaped kinetic dependencies	16
Dynamical behavior of a classical stochastic delayed chemostat model	15
Condensed-to-bond dual descriptor for the analysis of electron density rearrangement in π-conjugated compounds	15
Bounds for the elliptic sombor index and applications	14
Correction: The dual descriptor potential	14
A novel application of Kier–Hall electrotopological descriptors in datamining new HIV-1 non-nucleoside reverse transcriptase inhibitors (NNRTIs) on the basis of chemical similarity	14
Energy and information-entropic measures of Hulthén potential in D dimension by a new approximation to centrifugal term	14
A time two-grid difference method for nonlinear generalized viscous Burgers’ equation	14
Optimization of hyperparameters of Gaussian process regression with the help of а low-order high-dimensional model representation: application to a potential energy surface	13
Laplace transform method in one dimensional quantum mechanics on the semi infinite axis	13
An efficient numerical algorithm for solving linear systems with cyclic tridiagonal coefficient matrices	13
Locating a double vacancy or Stone–Wales point defect on a hexagonal quantum grid	12

Theoretical prediction of Gruneisen parameter for chalcopyrites	12
A multistep method with optimal phase and stability properties for problems in quantum chemistry	12
A first-rate fourteenth-order phase-fitting approach to solving chemical problems	12
A comparative study of cubic UAT and cubic UAH tension B-splines DQM for convection-diffusion equation: a statistical validation	11
On the thermal properties of pure and defective Ψ-graphene nanotubes by molecular dynamics simulations	11
CMMSE: a nonparametric test for grouping factor levels: an application to cocoa breeding experiments in acidic soils	11
On mixed metric dimension of crystal cubic carbon structure	11
A robust numerical technique for weakly coupled system of parabolic singularly perturbed reaction–diffusion equations	10
Topological entropies of single walled carbon nanotubes	10
Dynamical behaviors of a stochastic multi-molecule biochemical reaction model with Ornstein-Uhlenbeck process	10
A new approach of Rényi’s information measures	9
An exceedingly effective and inexpensive two-step, fourteenth-order phase-fitting method for solving quantum chemical issues	9
Molecular dynamics simulation of the mechanical properties of multi-walled nanotube comprising X-graphene and Y-graphene with different stacking orders	8
A modified cusp condition for the single density equations of DFT and orbital-free DFT for atoms	8
Numerical representations of AB-type copolymer complexes: analysis of 1H NMR chemical shift patterns in terms of a Smith–Cantor set	8
Steady spectra of supreme resolution and lowest noise in high-order optimized derivative fast Fourier transform for ovarian NMR spectroscopy	8
Global dynamics of solutions for enzyme catalysed models with almost periodic oscillatory input	8
General relationships between the kinetic characteristics of bulk and geminate recombination of radicals in solutions	8
In silico induction of missense mutation in NNRTI protein: computational modelling and stability study of modelled proteins	8
Efficient low-order Adams–Bashforth–Moulton trigonometrically-fitted methods	8
Geometric-algebraic approach to aqueous solutions of diprotic acids and its buffer mixtures	7
Applicability of noninteger bessel type orbital basis sets: numerical and analytical approaches	7
Relationship between Lennard-Jones potential and physico-chemical parameters	7
Mathematical exploration on control of bifurcation for a plankton–oxygen dynamical model owning delay	7
Average energy and Shannon entropy of a confined harmonic oscillator in a time-dependent moving boundary	7
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	7
Pivotal condensation and chemical balancing	7
3-Point block backward differentiation formula with an off-step point for the solutions of stiff chemical reaction problems	7
Moment independent uncertainty importance measure for stochastic systems based on Gaussian process	7
Solution of chemical reaction model using Haar wavelet method with Caputo derivative	7
Various mechanisms for double capture from helium targets by alpha particles	7
Chiral symmetry breaking: Frank model for the evolution of homochirality described by population dynamics	7
Characteristic polynomials, spectral-based Riemann-Zeta functions and entropy indices of n-dimensional hypercubes	7
Fourth-order energy-preserving time integrator for solving the sine-Gordon equation	7
An efficient approximation algorithm for the nonlinear reaction: diffusion equations in an electro catalytic thin film models using Hosoya polynomials	7
Topological indices and entropies of triangular and rhomboidal tessellations of kekulenes with applications to NMR and ESR spectroscopies	7
Theoretical model for the prediction of lattice energy of diatomic metal halides	7
Is the Tanimoto similarity a metric?	6
The determination of point groups from imprecise molecular geometries	6
Comment on “a new approach to solve the Schrödinger equation with an anharmonic sextic potential”	6
Approximate solutions to a degenerate reaction–diffusion model: a pragmatic sharp front approach	6
Combinatorics of colorings of Dűrer graph, Dűrer solid in Melencolia I, their heptagonal analogues and antiprisms for all irreducible representations: chirality, dynamics, NMR spectra and enumerations	6
Bounds for the Gutman–Milovanović index and some applications	6
Multiple-attribute decision making for green sustainable recycling partner selection based on linguistic r, s, t-spherical fuzzy aggregation information	6
Complete forcing numbers of hexagonal systems II	6
Progress in the valorization of biomass: a statistical perspective	6
On the Raleigh–Ritz variational method. Non-orthogonal basis set	6
Three-dimensional Haar wavelet method for singularly perturbed elliptic boundary value problems on non-uniform meshes	6
Correction to: Thermal interaction in two‑layered solid fuel system	5
The cut method on hypergraphs for the Wiener index	5

Positive steady states of a class of power law systems with independent decompositions	5
Cost-reduction implicit exponential Runge–Kutta methods for highly oscillatory systems	5
Atomic electronegativity based on hardness and floating spherical gaussian orbital approach	5
Mechanochemistry of degree two	5
Numerical solutions of one-dimensional Gelfand equation with fractional Laplacian	5
A review on recent theoretical approaches made in the discovery of potential Covid-19 therapeutics	5
Stereoisograms for three-membered heterocycles: V. Factor-group method for type-itemized enumeration of oxiranes under an RS-stereoisomeric group	5
Photodetachment of the outer-most electron(s) in few-electron atomic systems. Variational principle for the cross sections	5
On the efficient and accurate determinant evaluation of periodic tridiagonal Toeplitz matrices	5
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	5
Modeling of isothermal supersaturation of solutions in a porous medium: estimation of it’s possible degree	5
Chirality for simple graphs of size up to 12	5
A network-based parametrization of positive steady states of power-law kinetic systems	5
Analytical solutions for the rate equations of some two-step kinetic schemes including a reversible first order later step	5
Closed-form representations of the Coulomb integral over hydrogenic orbitals	5
Tutte polynomials for some chemical polycyclic graphs	5
Information theoretical statistical discrimination measures for electronic densities	5
The kinetics of three coupled irreversible elementary reactions: two parallel mixed second order reactions followed by a first order reaction	5
Analytical Solutions of the Molecular Kratzer-Feus potential by means of the Nikiforov-Uvarov Method	5
A simplified a posteriori error analysis of a second-order difference scheme for a singularly perturbed convection-diffusion problem	5
Fibonacci wavelet collocation method for the numerical approximation of fractional order Brusselator chemical model	5
Local softness and local molecular quantum similarity relationship: quantification of the local softness within a molecular ensemble	5
Advancing understanding of molecular interactions: computational studies on DNA nucleobases and gold nanoparticles using density functional theory	5
Thermodynamical quantities of silver mono halides from spectroscopic data	4
Theorem on rates of alignment of electronegativities of atoms in the process of formation of a chemical bond in a binary molecule	4
Analysis of a general reaction–diffusion model using Lie symmetries and conservation laws	4
An implicit scheme for time-fractional coupled generalized Burgers’ equation	4
Convergence analysis of optimal iterative family for multiple roots and its applications	4
Extremely broken generalized $$\mathcal{P}\mathcal{T}$$ symmetry	4
Solving the Mostar index inverse problem	4
Investigation of chemical space networks using graph measures and random matrix theory	4
Novel exponentially fitted two-derivative Runge–Kutta methods for solving the radial Schrödinger equation	4
An effective multistep fourteenth-order phase-fitting approach to solving chemistry problems	4
The numerical solution of the adsorption integral equation with Langmuir-kernel Part 1: approximations	4
Solution of the modified Yukawa–Kratzer potential under influence of the external fields and its thermodynamic properties	4
An adaptive Steffensen-like families for solving nonlinear systems using frozen divided differences	4
Conservation laws for extended generalized Cahn–Hilliard–Kuramoto–Sivashinsky equation in any dimension	4
An efficient computational technique and its convergence analysis for a class of doubly singular boundary value problems	4
A comparative simulation study of piezoelectric properties in zigzag and armchair boron nitride nanotubes: by discovering a pioneering protocol	4
Asymptotic behavior of Clebsch–Gordan coefficients	4
Intrinsic timing in classical master equation dynamics from an extended quadratic format of the evolution law	4
Analysis of optimal iterative methods from a dynamical point of view by studying their stability properties	4
Solution to quantum chemistry problems using a phase-fitting, singularly P-stable, cost-effective two-step approach with disappearing phase-lag derivatives up to order 5	4
The Gutman-Milovanović index in Mathematical Chemistry	4
Quantifying the distortion by spin–orbit and spin–spin coupling in molecular clusters using Molecular Quantum Similarity	4
A Rayleigh–Ritz Method for Numerical Solutions of Linear Fredholm Integral Equations of the Second Kind	4
Exponential topological indices: optimal inequalities and applications	4