OOIR: Observatory of International Research

Papers

(The TQCC of Journal of Mathematical Chemistry is 5. 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 2022-06-01 to 2026-06-01.)

Article	Citations
A low-cost, two-step fourteenth-order phase-fitting approach to tackling problems in chemistry	70
Graph realization of sets of integers	33
A novel approach for solving nonlinear singular boundary value problems arising in various physical models	32
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	31
Information-theoretic spreading measures of a particle confined in a 3D infinite spherical well	29
Bonding alkane attributes with topological indices: a statistical intervention	27
Positive equilibria of power law kinetic systems with kinetics-based decompositions	26
High-order symmetric and energy-preserving collocation integrators for the second-order Hamiltonian system	25
A cost-efficient numerical algorithm for the determinants of heptadiagonal matrices with Toeplitz structure	24
Auxiliary many-body wavefunctions for TDDFRT electronic excited states: consequences for the representation of molecular electronic transitions	22
Polyhedral geometry and combinatorics of an autocatalytic ecosystem	21
On properties of the first inverse Nirmala index	18
3D quantitative structure–activity relationships study on anti-gastric cancer of chrysin derivatives	18
Two different types of kinetics, where the initial rate increases faster or slower than the reactant concentration, can coexist on bell-shaped kinetic dependencies	17
Dynamical behavior of a classical stochastic delayed chemostat model	17
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	16
Energy and information-entropic measures of Hulthén potential in D dimension by a new approximation to centrifugal term	16
Condensed-to-bond dual descriptor for the analysis of electron density rearrangement in π-conjugated compounds	15
Optimization of hyperparameters of Gaussian process regression with the help of а low-order high-dimensional model representation: application to a potential energy surface	15
Bounds for the elliptic sombor index and applications	15
Correction: The dual descriptor potential	14
Quantum density principle governs DNA mutation fundamentals	14
A time two-grid difference method for nonlinear generalized viscous Burgers’ equation	14
A first-rate fourteenth-order phase-fitting approach to solving chemical problems	13
Theoretical prediction of Gruneisen parameter for chalcopyrites	13

Topological entropies of single walled carbon nanotubes	13
A robust numerical technique for weakly coupled system of parabolic singularly perturbed reaction–diffusion equations	12
A new approach of Rényi’s information measures	12
A comparative study of cubic UAT and cubic UAH tension B-splines DQM for convection-diffusion equation: a statistical validation	12
Dynamical behaviors of a stochastic multi-molecule biochemical reaction model with Ornstein-Uhlenbeck process	11
Revisiting analysis for Michaelis-Menten kinetics and a non-standard finite-difference-method for its discretization	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
An exceedingly effective and inexpensive two-step, fourteenth-order phase-fitting method for solving quantum chemical issues	10
An efficient numerical algorithm for solving linear systems with cyclic tridiagonal coefficient matrices	10
General relationships between the kinetic characteristics of bulk and geminate recombination of radicals in solutions	10
On the thermal properties of pure and defective Ψ-graphene nanotubes by molecular dynamics simulations	10
Efficient low-order Adams–Bashforth–Moulton trigonometrically-fitted methods	9
Numerical representations of AB-type copolymer complexes: analysis of 1H NMR chemical shift patterns in terms of a Smith–Cantor set	9
Molecular dynamics simulation of the mechanical properties of multi-walled nanotube comprising X-graphene and Y-graphene with different stacking orders	9
Steady spectra of supreme resolution and lowest noise in high-order optimized derivative fast Fourier transform for ovarian NMR spectroscopy	9
Moment independent uncertainty importance measure for stochastic systems based on Gaussian process	8
A modified cusp condition for the single density equations of DFT and orbital-free DFT for atoms	8
Relationship between Lennard-Jones potential and physico-chemical parameters	8
Fourth-order energy-preserving time integrator for solving the sine-Gordon equation	8
Sequential chemical reaction in the fractional integro-differentiation model	8
Global dynamics of solutions for enzyme catalysed models with almost periodic oscillatory input	8
In silico induction of missense mutation in NNRTI protein: computational modelling and stability study of modelled proteins	7
Topological indices and entropies of triangular and rhomboidal tessellations of kekulenes with applications to NMR and ESR spectroscopies	7
Applicability of noninteger bessel type orbital basis sets: numerical and analytical approaches	7
Geometric-algebraic approach to aqueous solutions of diprotic acids and its buffer mixtures	7
Various mechanisms for double capture from helium targets by alpha particles	7
An efficient approximation algorithm for the nonlinear reaction: diffusion equations in an electro catalytic thin film models using Hosoya polynomials	7
3-Point block backward differentiation formula with an off-step point for the solutions of stiff chemical reaction problems	7
Mathematical exploration on control of bifurcation for a plankton–oxygen dynamical model owning delay	7
Pivotal condensation and chemical balancing	7
Solution of chemical reaction model using Haar wavelet method with Caputo derivative	7
Average energy and Shannon entropy of a confined harmonic oscillator in a time-dependent moving boundary	7
Theoretical model for the prediction of lattice energy of diatomic metal halides	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
Characteristic polynomials, spectral-based Riemann-Zeta functions and entropy indices of n-dimensional hypercubes	7
Local softness and local molecular quantum similarity relationship: quantification of the local softness within a molecular ensemble	6
Is the Tanimoto similarity a metric?	6
Progress in the valorization of biomass: a statistical perspective	6
On the efficient and accurate determinant evaluation of periodic tridiagonal Toeplitz matrices	6
Tutte polynomials for some chemical polycyclic graphs	6
Fibonacci wavelet collocation method for the numerical approximation of fractional order Brusselator chemical model	6
Mechanochemistry of degree two	6
One-dimensional spatio-temporal patterns in the CIMA reaction	6
Modeling of isothermal supersaturation of solutions in a porous medium: estimation of it’s possible degree	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
Hitting time index of trees	6
A network-based parametrization of positive steady states of power-law kinetic systems	6
The kinetics of three coupled irreversible elementary reactions: two parallel mixed second order reactions followed by a first order reaction	6
The cut method on hypergraphs for the Wiener index	6

A high-order implicit–explicit compact finite difference method for a nonlinear time-fractional Benjamin–Bona–Mahony–Burgers equation	6
Bounds for the Gutman–Milovanović index and some applications	6
On the Raleigh–Ritz variational method. Non-orthogonal basis set	6
Multiple-attribute decision making for green sustainable recycling partner selection based on linguistic r, s, t-spherical fuzzy aggregation information	6
A simplified a posteriori error analysis of a second-order difference scheme for a singularly perturbed convection-diffusion problem	6
Approximate solutions to a degenerate reaction–diffusion model: a pragmatic sharp front approach	6
Cost-reduction implicit exponential Runge–Kutta methods for highly oscillatory systems	6
Closed-form representations of the Coulomb integral over hydrogenic orbitals	5
Analysis of a general reaction–diffusion model using Lie symmetries and conservation laws	5
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	5
Chirality for simple graphs of size up to 12	5
Novel exponentially fitted two-derivative Runge–Kutta methods for solving the radial Schrödinger equation	5
Theorem on rates of alignment of electronegativities of atoms in the process of formation of a chemical bond in a binary molecule	5
The numerical solution of the adsorption integral equation with Langmuir-kernel Part 1: approximations	5
Boundary values for the charge transferred during an electronic transition: insights from matrix analysis	5
Analytical Solutions of the Molecular Kratzer-Feus potential by means of the Nikiforov-Uvarov Method	5
Numerical solutions of one-dimensional Gelfand equation with fractional Laplacian	5
Correction to: Thermal interaction in two‑layered solid fuel system	5
Convergence analysis of optimal iterative family for multiple roots and its applications	5
Asymptotic behavior of Clebsch–Gordan coefficients	5
Positive steady states of a class of power law systems with independent decompositions	5
Intrinsic timing in classical master equation dynamics from an extended quadratic format of the evolution law	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
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
Analytical solutions for the rate equations of some two-step kinetic schemes including a reversible first order later step	5
Analysis of optimal iterative methods from a dynamical point of view by studying their stability properties	5
The Gutman-Milovanović index in Mathematical Chemistry	5
An implicit scheme for time-fractional coupled generalized Burgers’ equation	5
Thermodynamical quantities of silver mono halides from spectroscopic data	5
Information theoretical statistical discrimination measures for electronic densities	5
An effective multistep fourteenth-order phase-fitting approach to solving chemistry problems	5
Photodetachment of the outer-most electron(s) in few-electron atomic systems. Variational principle for the cross sections	5
Advancing understanding of molecular interactions: computational studies on DNA nucleobases and gold nanoparticles using density functional theory	5