OOIR: Observatory of International Research

Papers

(The TQCC of Journal of Mathematical Chemistry is 3. 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 2021-05-01 to 2025-05-01.)

Article	Citations
Graph realization of sets of integers	48
A cost-efficient numerical algorithm for the determinants of heptadiagonal matrices with Toeplitz structure	41
A low-cost, two-step fourteenth-order phase-fitting approach to tackling problems in chemistry	35
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	24
3D quantitative structure–activity relationships study on anti-gastric cancer of chrysin derivatives	24
On properties of the first inverse Nirmala index	21
A phase-fitting singularly P-stable economical two-step method for problems in quantum chemistry	14
Information-theoretic spreading measures of a particle confined in a 3D infinite spherical well	14
Asymptotic limit-cycle analysis of oscillating chemical reactions	14
A novel approach for solving nonlinear singular boundary value problems arising in various physical models	13
High-order symmetric and energy-preserving collocation integrators for the second-order Hamiltonian system	13
Positive equilibria of power law kinetic systems with kinetics-based decompositions	13
Complete forcing numbers of hexagonal systems	13
Bonding alkane attributes with topological indices: a statistical intervention	12
Extreme properties of the initial rate of the four-stage reaction of enzyme catalyzed ATP hydrolysis	12
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	12
Polyhedral geometry and combinatorics of an autocatalytic ecosystem	12
Dynamical behavior of a classical stochastic delayed chemostat model	11
On the spectral radius of antidiagonal block operator matrices	11
Optimization of hyperparameters of Gaussian process regression with the help of а low-order high-dimensional model representation: application to a potential energy surface	11
Laplace transform method in one dimensional quantum mechanics on the semi infinite axis	10
Energy and information-entropic measures of Hulthén potential in D dimension by a new approximation to centrifugal term	10
Dendrimer eigen-characteristics	10
A time two-grid difference method for nonlinear generalized viscous Burgers’ equation	10
In vivo derivative NMR spectroscopy for simultaneous improvements of resolution and signal-to-noise-ratio: Case study, Glioma	10

Two different types of kinetics, where the initial rate increases faster or slower than the reactant concentration, can coexist on bell-shaped kinetic dependencies	10
Correction: The dual descriptor potential	10
Theoretical prediction of Gruneisen parameter for chalcopyrites	9
On mixed metric dimension of crystal cubic carbon structure	9
A robust numerical technique for weakly coupled system of parabolic singularly perturbed reaction–diffusion equations	9
Topological entropies of single walled carbon nanotubes	9
An efficient numerical algorithm for solving linear systems with cyclic tridiagonal coefficient matrices	9
CMMSE: a nonparametric test for grouping factor levels: an application to cocoa breeding experiments in acidic soils	9
A first-rate fourteenth-order phase-fitting approach to solving chemical problems	9
A new improved economical finite difference method for problems in quantum chemistry	8
Uniform Haar wavelet technique with Newton’s method for a kind of derivative dependent SBVPs	8
On the thermal properties of pure and defective Ψ-graphene nanotubes by molecular dynamics simulations	8
A multistep method with optimal phase and stability properties for problems in quantum chemistry	8
Locating a double vacancy or Stone–Wales point defect on a hexagonal quantum grid	8
A comparative study of cubic UAT and cubic UAH tension B-splines DQM for convection-diffusion equation: a statistical validation	8
Dynamical behaviors of a stochastic multi-molecule biochemical reaction model with Ornstein-Uhlenbeck process	8
Molecular dynamics simulation of the mechanical properties of multi-walled nanotube comprising X-graphene and Y-graphene with different stacking orders	7
General relationships between the kinetic characteristics of bulk and geminate recombination of radicals in solutions	7
Bernstein and Gegenbauer-wavelet collocation methods for Bratu-like equations arising in electrospinning process	7
Numerical representations of AB-type copolymer complexes: analysis of 1H NMR chemical shift patterns in terms of a Smith–Cantor set	7
Steady spectra of supreme resolution and lowest noise in high-order optimized derivative fast Fourier transform for ovarian NMR spectroscopy	7
An exceedingly effective and inexpensive two-step, fourteenth-order phase-fitting method for solving quantum chemical issues	7
Theoretical model for the prediction of lattice energy of diatomic metal halides	6
Moment independent uncertainty importance measure for stochastic systems based on Gaussian process	6
Global dynamics of solutions for enzyme catalysed models with almost periodic oscillatory input	6
Applicability of noninteger bessel type orbital basis sets: numerical and analytical approaches	6
Relationship between Lennard-Jones potential and physico-chemical parameters	6
Fourth-order energy-preserving time integrator for solving the sine-Gordon equation	6
Mathematical exploration on control of bifurcation for a plankton–oxygen dynamical model owning delay	6
In silico induction of missense mutation in NNRTI protein: computational modelling and stability study of modelled proteins	6
A modified cusp condition for the single density equations of DFT and orbital-free DFT for atoms	6
Complete forcing numbers of hexagonal systems II	5
Various mechanisms for double capture from helium targets by alpha particles	5
Chiral symmetry breaking: Frank model for the evolution of homochirality described by population dynamics	5
On the Raleigh–Ritz variational method. Non-orthogonal basis set	5
Approximate solutions to a degenerate reaction–diffusion model: a pragmatic sharp front approach	5
Three-dimensional Haar wavelet method for singularly perturbed elliptic boundary value problems on non-uniform meshes	5
Bounds for the Gutman–Milovanović index and some applications	5
Average energy and Shannon entropy of a confined harmonic oscillator in a time-dependent moving boundary	5
An efficient approximation algorithm for the nonlinear reaction: diffusion equations in an electro catalytic thin film models using Hosoya polynomials	5
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	5
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	5
Is the Tanimoto similarity a metric?	5
The cut method on hypergraphs for the Wiener index	5
Solving the Schrodinger equation of an electron in a periodic crystal potential through elliptic functions	5
Solution of chemical reaction model using Haar wavelet method with Caputo derivative	5
Topological indices and entropies of triangular and rhomboidal tessellations of kekulenes with applications to NMR and ESR spectroscopies	5
Pivotal condensation and chemical balancing	5
The determination of point groups from imprecise molecular geometries	5
Characteristic polynomials, spectral-based Riemann-Zeta functions and entropy indices of n-dimensional hypercubes	5

A network-based parametrization of positive steady states of power-law kinetic systems	5
Progress in the valorization of biomass: a statistical perspective	5
Geometric-algebraic approach to aqueous solutions of diprotic acids and its buffer mixtures	5
Comment on “a new approach to solve the Schrödinger equation with an anharmonic sextic potential”	5
3-Point block backward differentiation formula with an off-step point for the solutions of stiff chemical reaction problems	5
The kinetics of three coupled irreversible elementary reactions: two parallel mixed second order reactions followed by a first order reaction	4
Modeling of isothermal supersaturation of solutions in a porous medium: estimation of it’s possible degree	4
Fibonacci wavelet collocation method for the numerical approximation of fractional order Brusselator chemical model	4
Tutte polynomials for some chemical polycyclic graphs	4
Advancing understanding of molecular interactions: computational studies on DNA nucleobases and gold nanoparticles using density functional theory	4
Analytical solutions for the rate equations of some two-step kinetic schemes including a reversible first order later step	4
Analysis of optimal iterative methods from a dynamical point of view by studying their stability properties	4
Information theoretical statistical discrimination measures for electronic densities	4
Local softness and local molecular quantum similarity relationship: quantification of the local softness within a molecular ensemble	4
On the efficient and accurate determinant evaluation of periodic tridiagonal Toeplitz matrices	4
Comment on “He-Laplace variational iteration method for solving the nonlinear equations arising in chemical kinetics and population dynamics”	4
Multiple-attribute decision making for green sustainable recycling partner selection based on linguistic r, s, t-spherical fuzzy aggregation information	4
Mechanochemistry of degree two	4
High-resolution at 3T for in vivo derivative NMR spectroscopy in medical diagnostics of ovarian tumor: exact quantification by shape estimations	4
Analytical Solutions of the Molecular Kratzer-Feus potential by means of the Nikiforov-Uvarov Method	4
An implicit scheme for time-fractional coupled generalized Burgers’ equation	4
Photodetachment of the outer-most electron(s) in few-electron atomic systems. Variational principle for the cross sections	4
Stereoisograms for three-membered heterocycles: V. Factor-group method for type-itemized enumeration of oxiranes under an RS-stereoisomeric group	4
A simplified a posteriori error analysis of a second-order difference scheme for a singularly perturbed convection-diffusion problem	4
Cost-reduction implicit exponential Runge–Kutta methods for highly oscillatory systems	4
Numerical solutions of one-dimensional Gelfand equation with fractional Laplacian	4
Wavelet method for steady state immobilized enzyme kinetic model: an operational matrix approach	4
Atomic electronegativity based on hardness and floating spherical gaussian orbital approach	4
Correction to: Thermal interaction in two‑layered solid fuel system	4
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	4
Thermodynamical quantities of silver mono halides from spectroscopic data	3
Chirality for simple graphs of size up to 12	3
Analysis of a general reaction–diffusion model using Lie symmetries and conservation laws	3
Positive steady states of a class of power law systems with independent decompositions	3
A comparative simulation study of piezoelectric properties in zigzag and armchair boron nitride nanotubes: by discovering a pioneering protocol	3
Solving the Mostar index inverse problem	3
Investigation of chemical space networks using graph measures and random matrix theory	3
Fractal equation of motion of a non-Gaussian polymer chain: investigating its dynamic fractal response using an ancient Chinese algorithm.	3
Quantifying the distortion by spin–orbit and spin–spin coupling in molecular clusters using Molecular Quantum Similarity	3
q-Rényi’s entropy as a possible measure of electron correlation	3
Asymptotic behavior of Clebsch–Gordan coefficients	3
A review on recent theoretical approaches made in the discovery of potential Covid-19 therapeutics	3
An effective multistep fourteenth-order phase-fitting approach to solving chemistry problems	3
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	3
An adaptive Steffensen-like families for solving nonlinear systems using frozen divided differences	3
A Rayleigh–Ritz Method for Numerical Solutions of Linear Fredholm Integral Equations of the Second Kind	3
Exact solutions of an asymmetric double well potential	3
Persistence and stability of a class of kinetic compartmental models	3
Extremely broken generalized $$\mathcal{P}\mathcal{T}$$ symmetry	3
Intrinsic timing in classical master equation dynamics from an extended quadratic format of the evolution law	3
Solution of the modified Yukawa–Kratzer potential under influence of the external fields and its thermodynamic properties	3
Theorem on rates of alignment of electronegativities of atoms in the process of formation of a chemical bond in a binary molecule	3
Convergence analysis of optimal iterative family for multiple roots and its applications	3
Novel exponentially fitted two-derivative Runge–Kutta methods for solving the radial Schrödinger equation	3
Computational properties of the arithmetic–geometric index	3
An optimal eighth order derivative free multiple root finding numerical method and applications to chemistry	3
Spatiotemporal complexity in a diffusive Brusselator model	3
A close-up to the bond-breaking and bond-forming using information theory	3
An economical two-step method with improved phase and stability properties for problems in chemistry	3