Journal of Mathematical Chemistry

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 2020-11-01 to 2024-11-01.)
ArticleCitations
Homotopy perturbation method with three expansions77
He–Laplace variational iteration method for solving the nonlinear equations arising in chemical kinetics and population dynamics56
A gecko-like fractal receptor of a three-dimensional printing technology: a fractal oscillator46
Extremal values of the Sombor index in unicyclic and bicyclic graphs42
Sombor index: review of extremal results and bounds32
Atom-bond sum-connectivity index32
Solving nonlinear reaction–diffusion problem in electrostatic interaction with reaction-generated pH change on the kinetics of immobilized enzyme systems using Taylor series method29
Graph entropies, enumeration of circuits, walks and topological properties of three classes of isoreticular metal organic frameworks28
Belousov-Zhabotinsky type reactions: the non-linear behavior of chemical systems25
Mathematical exploration on control of bifurcation for a plankton–oxygen dynamical model owning delay24
Fractal equation of motion of a non-Gaussian polymer chain: investigating its dynamic fractal response using an ancient Chinese algorithm.14
Theoretical prediction for thermoelastic properties of carbon nanotubes (CNTs) at different pressure or compression using equation of states14
Optimization of hyperparameters of Gaussian process regression with the help of а low-order high-dimensional model representation: application to a potential energy surface13
A phase-fitting, first, second and third derivatives phase-fitting singularly P-stable economical two-step method for problems in quantum chemistry12
A phase-fitting, first and second derivatives phase-fitting singularly P-stable economical two-step method for problems in chemistry12
A Phase-Fitting Singularly P-Stable Cost-Effective Two-Step Method for Solving Chemistry Problems12
A quartic trigonometric B-spline collocation method for a general class of nonlinear singular boundary value problems11
Derivative NMR spectroscopy for J-coupled multiplet resonances using short time signals (0.5 KB) encoded at low magnetic field strengths (1.5T). Part I: water suppressed11
Richardson-Gaudin geminal wavefunctions in a Slater determinant basis11
A phase-fitting and first derivative phase-fitting singularly P-stable economical two-step method for problems in quantum chemistry11
Topological indices and entropies of triangular and rhomboidal tessellations of kekulenes with applications to NMR and ESR spectroscopies10
Numerical solution of system of Emden-Fowler type equations by Bernstein collocation method10
Eigensolution of the Klein–Gordon equation for modified Yukawa–Kratzer potential and its applications using parametric Nikiforov–Uvarov and SUSYQM method10
Derivative NMR Spectroscopy for J-Coupled Multiplet Resonances using Short Time Signals (0.5KB) Encoded at Low Magnetic Field Strengths (1.5T). Part II: Water Unsuppressed10
q-Rényi’s entropy as a possible measure of electron correlation9
An efficient operational matrix technique to solve the fractional order non-local boundary value problems9
Topological indices and graph entropies for carbon nanotube Y-junctions8
Analytical Solutions of the Molecular Kratzer-Feus potential by means of the Nikiforov-Uvarov Method8
The two-step exponential decay reaction network: analysis of the solutions and relation to epidemiological SIR models with logistic and Gompertz type infection contact patterns8
A block diagonalization based algorithm for the determinants of block k-tridiagonal matrices8
Analysis of solutions of time-dependent Schrödinger equation of a particle trapped in a spherical box8
In vitro proton magnetic resonance spectroscopy at 14T for benign and malignant ovary: Part I, signal processing by the nonparametric fast Padé transform8
Atomic electronegativity based on hardness and floating spherical gaussian orbital approach8
Theoretical model for the prediction of lattice energy of diatomic metal halides8
Solution of the modified Yukawa–Kratzer potential under influence of the external fields and its thermodynamic properties8
Generalized scalar products in Minkowski metric spaces8
In vivo derivative NMR spectroscopy for simultaneous improvements of resolution and signal-to-noise-ratio: Case study, Glioma8
mad-GP: automatic differentiation of Gaussian processes for molecules and materials8
Molecular device design based on chemical reaction networks: state feedback controller, static pre-filter, addition gate control system and full-dimensional state observer8
Relation between geometric–arithmetic and arithmetic–geometric indices7
High-resolution at 3T for in vivo derivative NMR spectroscopy in medical diagnostics of ovarian tumor: exact quantification by shape estimations7
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 57
A time two-grid difference method for nonlinear generalized viscous Burgers’ equation7
Shadows’ hypercube, vector spaces, and non-linear optimization of QSPR procedures7
Biochemical and phylogenetic networks-I: hypertrees and corona products6
A new one-step method with three intermediate points in a variable step-size mode for stiff differential systems6
Analytic properties of sextet polynomials of hexagonal systems6
Determination of unknown molecular properties in molecular spaces6
General nucleation-growth type kinetic models of nanoparticle formation: possibilities of finding analytical solutions6
A two-step singularly P-stable method with high phase and large stability properties for problems in chemistry6
Compressing multireference character of wave functions via fermionic mode optimization6
Deficiency zero for random reaction networks under a stochastic block model framework5
Spatiotemporal complexity in a diffusive Brusselator model5
Minimum distance-unbalancedness of trees5
Analytical and statistical studies of Rodriguez–Velazquez indices5
A new spectral collocation method for solving Bratu-type equations using Genocchi polynomials5
Phase-fitting, singularly P-stable, cost-effective two-step approach to solving problems in quantum chemistry with vanishing phase-lag derivatives up to order 65
An optimal eighth order derivative free multiple root finding numerical method and applications to chemistry5
Positive equilibria of Hill-type kinetic systems5
An efficient operational matrix approach for the solutions of Burgers' and fractional Burgers' equations using wavelets5
A fast numerical scheme for solving singular boundary value problems arising in various physical models5
Highly efficient, singularly P-stable, and low-cost phase-fitting two-step method of 14th order for problems in chemistry5
Extended Minkowski spaces, zero norms, and Minkowski hypersurfaces5
An efficient numerical approach for solving a general class of nonlinear singular boundary value problems5
Exponential topological indices: optimal inequalities and applications5
Quantum similarity and QSPR in Euclidean-, and Minkowskian–Banach spaces5
Peripherality in networks: theory and applications5
Some new results on energy of graphs with self loops5
Domination number of catacondensed hexagonal systems5
In vitro proton magnetic resonance spectroscopy at 14T for benign and malignant ovary: Part II, Signal processing by the parametric fast Padé transform5
A division-free algorithm for numerically evaluating the determinant of a specific quasi-tridiagonal matrix5
Covalent organic frameworks: topological characterizations, spectral patterns and graph entropies4
Numerical solution of some stiff systems arising in chemistry via Taylor wavelet collocation method4
On topological indices of Molnupiravir and its QSPR modelling with some other antiviral drugs to treat COVID-19 patients4
Computational properties of the arithmetic–geometric index4
Comparative study on structural sensitivity of eigenvalue–based molecular descriptors4
Average energy and quantum similarity of a time dependent quantum system subject to Pöschl–Teller potential4
Wavelet solution of a strongly nonlinear Lane–Emden equation4
Comparative study of elastic properties of some inorganic and organic molecular crystals from EOS4
On the modified generalized multidimensional KP equation in plasma physics and fluid dynamics in (3 + 1) dimensions4
On the information balance in a simple chemical process4
A close-up to the bond-breaking and bond-forming using information theory4
Harary index of Eulerian graphs4
Difference methods for stochastic space fractional diffusion equation driven by additive space–time white noise via Wong–Zakai approximation4
Turing instability and pattern formation in a diffusive Sel’kov–Schnakenberg system4
Smeared Coulomb potential orbitals: I—asymptotic expansion4
Minimum-uncertainty coherent states of the hyperbolic and trigonometric Rosen–Morse oscillators4
A 1-separation formula for the graph Kemeny constant and Braess edges4
Rényi’s divergence as a chemical similarity criterion4
Quantum similarity index and Rényi complexity ratio of Kratzer type potential and compared with that of inverse square and Coulomb type potentials4
Exact analytical ground state solution of 1D H$$_2^+$$ with soft Coulomb potential4
Applications of graph theory in studying protein structure, dynamics, and interactions4
An efficient numerical technique for solving nonlinear singularly perturbed reaction diffusion problem4
Persistence and stability of a class of kinetic compartmental models4
A robust numerical technique for weakly coupled system of parabolic singularly perturbed reaction–diffusion equations4
Critical scaling of lattice polymers confined to a box without endpoint restriction4
Differential transform method for the solutions to some initial value problems in chemistry4
Inverse problem for reconstruction of components from derivative envelope in ovarian MRS: Citrate quartet as a cancer biomarker with considerably decreased levels in malignant vs benign samples3
Fibonacci wavelet collocation method for the numerical approximation of fractional order Brusselator chemical model3
Unified Regression Model in Fitting Potential Energy Surfaces for Quantum Dynamics3
Computation of atomic electronegativity values using atomic and covalent potential: a FSGO based study3
Global dynamics of solutions for enzyme catalysed models with almost periodic oscillatory input3
Fermi–Dirac entropy as a measure of electron interactions3
A full probabilistic analysis of a randomized kinetic model for reaction–deactivation of hydrogen peroxide decomposition with applications to real data3
Modeling the process of capacitive deionization of solutions at supposing complex structure of the pores of the electrodes3
Identification of potential oral cancer drugs as Bcl-2 inhibitors from known anti-neoplastic agents through docking studies3
Formulation of a phonon band calculation for molecular crystals using a coarse-grained coordinate approach under periodic boundary conditions3
Comparative analysis of carbon cycle models via kinetic representations3
Analytical enclosure of the set of solutions of the three-species multivariate curve resolution problem3
A high-order compact finite difference scheme and its analysis for the time-fractional diffusion equation3
The Collatz conjecture and the quantum mechanical harmonic oscillator3
Analytical approach of Hilfer fractional order differential equations using iterative Laplace transform method3
Various mechanisms for double capture from helium targets by alpha particles3
Bernstein and Gegenbauer-wavelet collocation methods for Bratu-like equations arising in electrospinning process3
Extension of Fermat’s last theorem in Minkowski natural spaces3
Weakly reversible CF-decompositions of chemical kinetic systems3
A possible generalization Shannon’s entropy using q-calculus3
The spectrum of the vertex quadrangulation of a 4-regular toroidal graph and beyond3
Information-theoretic spreading measures of a particle confined in a 3D infinite spherical well3
Complete forcing numbers of hexagonal systems3
Derivative shape estimations with resolved overlapped peaks and reduced noise for time signals encoded by NMR spectroscopy with and without water suppression3
Modeling Riemann–Liouville fractional differential equations for diffusion and reaction in fractal porous media3
Steady-state solutions of the templator model in chemical self-replication3
Exact solutions of an asymmetric double well potential3
Surrogate modeling of the effective elastic properties of spherical particle-reinforced composite materials3
A conceptual DFT and information-theoretic approach towards QSPR modeling in polychlorobiphenyls3
Combinatorial enumeration of relativistic states of actinide dimers3
Second-order convergent scheme for time-fractional partial differential equations with a delay in time3
Bivariate rational approximations of the general temperature integral3
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