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 2020-04-01 to 2024-04-01.)
ArticleCitations
Homotopy perturbation method for Fangzhu oscillator110
Homotopy perturbation method with three expansions71
He–Laplace variational iteration method for solving the nonlinear equations arising in chemical kinetics and population dynamics53
A gecko-like fractal receptor of a three-dimensional printing technology: a fractal oscillator44
Extremal values of the Sombor index in unicyclic and bicyclic graphs39
Sombor index: review of extremal results and bounds30
Solving nonlinear reaction–diffusion problem in electrostatic interaction with reaction-generated pH change on the kinetics of immobilized enzyme systems using Taylor series method27
Steady-state concentrations of carbon dioxide absorbed into phenyl glycidyl ether solutions by residual method24
Atom-bond sum-connectivity index21
Graph entropies, enumeration of circuits, walks and topological properties of three classes of isoreticular metal organic frameworks21
Belousov-Zhabotinsky type reactions: the non-linear behavior of chemical systems19
Extremal catacondensed benzenoids with respect to the Mostar index17
A fundamental approach to compute atomic electrophilicity index14
Highly accurate numerical solution of Hartree–Fock equation with pseudospectral method for closed-shell atoms13
Fractal equation of motion of a non-Gaussian polymer chain: investigating its dynamic fractal response using an ancient Chinese algorithm.12
A uniformly convergent quadratic B-spline collocation method for singularly perturbed parabolic partial differential equations with two small parameters12
Full in phase finite difference algorithm for differential equations in quantum chemistry12
Matrix elements of unitary group generators in many-fermion correlation problem. I. tensorial approaches12
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
A Bessel collocation method for solving Bratu’s problem11
Theoretical prediction for thermoelastic properties of carbon nanotubes (CNTs) at different pressure or compression using equation of states10
Richardson-Gaudin geminal wavefunctions in a Slater determinant basis10
Discretization, bifurcation analysis and chaos control for Schnakenberg model10
Matrix elements of unitary group generators in many-fermion correlation problem. II. Graphical methods of spin algebras10
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
Mathematical exploration on control of bifurcation for a plankton–oxygen dynamical model owning delay9
Eigensolution of the Klein–Gordon equation for modified Yukawa–Kratzer potential and its applications using parametric Nikiforov–Uvarov and SUSYQM method9
On classes of reaction networks and their associated polynomial dynamical systems8
Spectral properties of inverse sum indeg index of graphs8
In vivo derivative NMR spectroscopy for simultaneous improvements of resolution and signal-to-noise-ratio: Case study, Glioma8
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 precise, simple and general Basic Le Châtelier Principle based on elementary calculus: What Le Châtelier had in mind?8
Generalized scalar products in Minkowski metric spaces8
A phase-fitting, first, second and third derivatives phase-fitting singularly P-stable economical two-step method for problems in quantum chemistry8
Two-point resistances in the generalized phenylenes8
In vitro proton magnetic resonance spectroscopy at 14T for benign and malignant ovary: Part I, signal processing by the nonparametric fast Padé transform8
Optimization of hyperparameters of Gaussian process regression with the help of а low-order high-dimensional model representation: application to a potential energy surface8
Numerical solution of system of Emden-Fowler type equations by Bernstein collocation method8
A Phase-Fitting Singularly P-Stable Cost-Effective Two-Step Method for Solving Chemistry Problems7
Analysis of solutions of time-dependent Schrödinger equation of a particle trapped in a spherical box7
Modelling carbon nanocones for selective filter7
An efficient operational matrix technique to solve the fractional order non-local boundary value problems7
Total cross sections in five methods for two-electron capture by alpha particles from helium: CDW-4B, BDW-4B, BCIS-4B, CDW-EIS-4B and CB1-4B7
Fuzzy Hypercubes and their time-like evolution7
Shadows’ hypercube, vector spaces, and non-linear optimization of QSPR procedures7
High-resolution at 3T for in vivo derivative NMR spectroscopy in medical diagnostics of ovarian tumor: exact quantification by shape estimations7
mad-GP: automatic differentiation of Gaussian processes for molecules and materials7
Knot theory for proteins: Gauss codes, quandles and bondles7
q-Rényi’s entropy as a possible measure of electron correlation7
Molecular device design based on chemical reaction networks: state feedback controller, static pre-filter, addition gate control system and full-dimensional state observer7
A phase-fitting, first and second derivatives phase-fitting singularly P-stable economical two-step method for problems in chemistry7
Analytic properties of sextet polynomials of hexagonal systems6
On an alternative formulation of the thermodynamic stability condition6
Determination of unknown molecular properties in molecular spaces6
The new class of multistep multiderivative hybrid methods for the numerical solution of chemical stiff systems of first order IVPs6
A block diagonalization based algorithm for the determinants of block k-tridiagonal matrices6
A two-step singularly P-stable method with high phase and large stability properties for problems in chemistry6
Packing stars in fullerenes6
Method for calculating material balance of complex process flowcharts6
Relations between the general sum connectivity index and the line graph6
Biochemical and phylogenetic networks-I: hypertrees and corona products6
Atomic electronegativity based on hardness and floating spherical gaussian orbital approach6
A quartic trigonometric B-spline collocation method for a general class of nonlinear singular boundary value problems6
Relation between geometric–arithmetic and arithmetic–geometric indices6
A phase-fitting and first derivative phase-fitting singularly P-stable economical two-step method for problems in quantum chemistry6
In vitro proton magnetic resonance spectroscopy at 14T for benign and malignant ovary: Part II, Signal processing by the parametric fast Padé transform5
Positive equilibria of Hill-type kinetic systems5
A quantum similarity discussion about Einstein–Podolsky–Rosen (EPR) paradox in Gaussian enfolded spaces5
Domination number of catacondensed hexagonal systems5
Deficiency zero for random reaction networks under a stochastic block model framework5
Solution of the modified Yukawa–Kratzer potential under influence of the external fields and its thermodynamic properties5
An efficient operational matrix approach for the solutions of Burgers' and fractional Burgers' equations using wavelets5
Extended Minkowski spaces, zero norms, and Minkowski hypersurfaces5
Topological indices and entropies of triangular and rhomboidal tessellations of kekulenes with applications to NMR and ESR spectroscopies5
Induced H-packing k-partition number for certain nanotubes and chemical graphs5
An iterative technique for solving a class of local and nonlocal elliptic boundary value problems5
Numerical verification of the orders of accuracy of truncated asymptotic expansion solutions to the van der Pol equation4
Smeared Coulomb potential orbitals: I—asymptotic expansion4
Minimum-uncertainty coherent states of the hyperbolic and trigonometric Rosen–Morse oscillators4
Analytical Solutions of the Molecular Kratzer-Feus potential by means of the Nikiforov-Uvarov Method4
Compressing multireference character of wave functions via fermionic mode optimization4
An efficient numerical approach for solving a general class of nonlinear singular boundary value problems4
Theoretical model for the prediction of lattice energy of diatomic metal halides4
Persistence and stability of a class of kinetic compartmental models4
Spatiotemporal complexity in a diffusive Brusselator model4
Phase fitted method for quantum chemistry problems4
Critical scaling of lattice polymers confined to a box without endpoint restriction4
Complete in phase method for problems in chemistry4
A new implicit high-order six-step singularly P-stable method for the numerical solution of Schrödinger equation4
On the information balance in a simple chemical process4
Comparative study on structural sensitivity of eigenvalue–based molecular descriptors4
Semi-exact solutions of sextic potential plus a centrifugal term4
An efficient numerical technique for solving nonlinear singularly perturbed reaction diffusion problem4
Peripherality in networks: theory and applications4
Minimum distance-unbalancedness of trees4
A fast numerical scheme for solving singular boundary value problems arising in various physical models4
Analytical and statistical studies of Rodriguez–Velazquez indices4
Nordhaus–Gaddum type inequalities for some distance-based indices of bipartite molecular graphs4
A close-up to the bond-breaking and bond-forming using information theory4
Fermi–Dirac entropy as a measure of electron interactions3
Extension of Fermat’s last theorem in Minkowski natural spaces3
Bernstein and Gegenbauer-wavelet collocation methods for Bratu-like equations arising in electrospinning process3
Some new results on energy of graphs with self loops3
A new one-step method with three intermediate points in a variable step-size mode for stiff differential systems3
The Collatz conjecture and the quantum mechanical harmonic oscillator3
A 1-separation formula for the graph Kemeny constant and Braess edges3
Bivariate rational approximations of the general temperature integral3
Modeling Riemann–Liouville fractional differential equations for diffusion and reaction in fractal porous media3
An optimal eighth order derivative free multiple root finding numerical method and applications to chemistry3
Matrix elements of unitary group generators in many-fermion correlation problem. III. Green-Gould approach3
Topological indices and graph entropies for carbon nanotube Y-junctions3
A full probabilistic analysis of a randomized kinetic model for reaction–deactivation of hydrogen peroxide decomposition with applications to real data3
On a flexible extended homotopy perturbation method and its applications in applied chemistry3
Formulation of a phonon band calculation for molecular crystals using a coarse-grained coordinate approach under periodic boundary conditions3
On the modified generalized multidimensional KP equation in plasma physics and fluid dynamics in (3 + 1) dimensions3
Rényi’s divergence as a chemical similarity criterion3
Unified Regression Model in Fitting Potential Energy Surfaces for Quantum Dynamics3
Differential transform method for the solutions to some initial value problems in chemistry3
Computation of atomic electronegativity values using atomic and covalent potential: a FSGO based study3
Nice pairs of odd cycles in fullerene graphs3
Turing instability and pattern formation in a diffusive Sel’kov–Schnakenberg system3
Exact solutions of an asymmetric double well potential3
Harary index of Eulerian graphs3
Quantum similarity and QSPR in Euclidean-, and Minkowskian–Banach spaces3
Combinatorial enumeration of relativistic states of actinide dimers3
The spectrum of the vertex quadrangulation of a 4-regular toroidal graph and beyond3
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
A new spectral collocation method for solving Bratu-type equations using Genocchi polynomials3
Kudryashov and Sinelshchikov’s method for solving the radial oscillation problem of multielectron bubbles in liquid helium3
Symmetry analysis of a generalized 2D Zakharov–Kuznetsov–Burgers equation with a variable dissipation3
Exact analytical ground state solution of 1D H$$_2^+$$ with soft Coulomb potential3
A division-free algorithm for numerically evaluating the determinant of a specific quasi-tridiagonal matrix3
Computational properties of the arithmetic–geometric index3
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