Articles

1. Endotactic and strongly endotactic networks with infinitely many positive steady states

   • Samay Kothari
   • Abhishek Deshpande

   Original Paper 26 April 2024

   

2. New bounds for variable topological indices and applications

   • Ana Granados
   • Ana Portilla
   • Eva Tourís

   Original Paper Open access 23 April 2024

   

3. Relationship between Lennard-Jones potential and physico-chemical parameters

   • Yosra Ben Torkia
   • Abdelmottaleb Ben Lamine

   Original Paper 15 April 2024

   

4. Cross section sensitivity to perturbation strengths in distorted waves for double electron capture by alpha particles from helium targets

   • Dževad Belkić

   Original Paper Open access 09 April 2024

   

5. An integral discretization scheme on a graded mesh for a fractional differential equation with integral boundary conditions

   • Zhongdi Cen
   • Jian Huang
   • Aimin Xu

   Original Paper 08 April 2024

6. Chemically inspired Erdős–Rényi hypergraphs

   • Angel Garcia-Chung
   • Marisol Bermúdez-Montaña
   • Guillermo Restrepo

   Original Paper 05 April 2024

   

7. A time two-grid difference method for nonlinear generalized viscous Burgers’ equation

   • Yang Shi
   • Xuehua Yang

   Original Paper 28 March 2024

   

8. Pivotal condensation and chemical balancing

   • Hans-Christian Herbig

   Correspondence 27 March 2024

   

9. Correction: The dual descriptor potential

   • Jorge Martínez-Araya

   Correction 26 March 2024 Pages: 1113 - 1113

10. A high-order B-spline collocation method for solving a class of nonlinear singular boundary value problems

    • Pradip Roul

    Original Paper 26 March 2024

    

11. Unsteady triple diffusive oscillatory flow in a Voigt fluid

    • Y. Vinod
    • Suma Nagendrappa Nagappanavar
    • D. L. Kiran Kumar

    Original Paper 24 March 2024

    

12. In vivo brain MRS at a 1.5T clinical scanner: Optimized derivative fast Fourier transform for high-resolution spectra from time signals encoded with and without water suppression

    • Dževad Belkić
    • Karen Belkić

    Original Paper Open access 22 March 2024

    

13. On the thermal properties of pure and defective Ψ-graphene nanotubes by molecular dynamics simulations

    • Pingfang Yuan
    • Zhenfeng Liu
    • Keke Chen

    Original Paper 21 March 2024 Pages: 1209 - 1221

    

14. Numerical approach for time-fractional Burgers’ equation via a combination of Adams–Moulton and linearized technique

    • Yonghyeon Jeon
    • Sunyoung Bu

    Original Paper 18 March 2024 Pages: 1189 - 1208

    

15. Improved rotating Kratzer–Fues oscillator: eigenenergies, eigenfunctions, coherent states and ladder operators

    • Marcin Molski

    Original Paper 16 March 2024 Pages: 1175 - 1188

16. Correction: Why are the local hyper-softness and the local softness more appropriate local reactivity descriptors than the dual descriptor and the Fukui function, respectively?

    • Jorge I. Martínez-Araya

    Correction 15 March 2024

17. Efficient approximation of solution derivatives for system of singularly perturbed time-dependent convection-diffusion PDEs on Shishkin mesh

    • Sonu Bose
    • Kaushik Mukherjee

    Original Paper 14 March 2024 Pages: 1134 - 1174

    

18. Isomer number patterns in aromatic hydrocarbon chemistry: the numbers speak for themselves

    • Jerry Ray Dias

    Review 14 March 2024 Pages: 937 - 950

    

19. Fourth-order energy-preserving time integrator for solving the sine-Gordon equation

    • Bo Jiang
    • Changna Lu
    • Yonglei Fang

    Original Paper 14 March 2024

    

20. Bonding alkane attributes with topological indices: a statistical intervention

    • Nadar Jenita Mary Masilamani Raja
    • A. Anuradha

    Original Paper 10 March 2024

    

21. Adaptive second derivative multistep methods for solving stiff chemical problems

    • Mozhgan Eghbaljoo
    • Gholamreza Hojjati
    • Ali Abdi

    Original Paper 08 March 2024 Pages: 1114 - 1133

    

22. The dual descriptor potential

    • Jorge I. Martínez-Araya

    Original Paper 05 March 2024 Pages: 1094 - 1112

    

23. Solving the Mostar index inverse problem

    • Yaser Alizadeh
    • Nino Bašić
    • Kexiang Xu

    Original Paper 28 February 2024 Pages: 1079 - 1093

    

24. Polyhedral geometry and combinatorics of an autocatalytic ecosystem

    • Praful Gagrani
    • Victor Blanco
    • David Baum

    Original Paper 27 February 2024 Pages: 1012 - 1078

    

25. A new 2-level implicit high accuracy compact exponential approximation for the numerical solution of nonlinear fourth order Kuramoto–Sivashinsky and Fisher–Kolmogorov equations

    • R. K. Mohanty
    • Divya Sharma

    Original Paper 23 February 2024 Pages: 973 - 1011

    

26. Progress in the valorization of biomass: a statistical perspective

    • Béla Barabás
    • Ottilia Fülöp
    • Gyula Pályi

    Original Paper Open access 22 February 2024 Pages: 951 - 972

    

27. The linear response function \(\chi (\textbf{r}, \textbf{r}^{'})\): another perspective

    • Samir Kenouche
    • Jorge I. Martínez-Araya

    Original Paper 22 February 2024

28. Calculation of topological indices along with MATLAB coding in QSPR analysis of calcium channel-blocking cardiac drugs

    • Mehri Hasani
    • Masoud Ghods

    Original Paper 20 February 2024

    

29. The kinetics of three coupled irreversible elementary reactions: two parallel mixed second order reactions followed by a first order reaction

    • E. Ventura
    • Rodolpho L. R. Alves
    • Silmar A. do Monte

    Original Paper 14 February 2024 Pages: 922 - 935

    

30. Computation of resistance distance with Kirchhoff index of body centered cubic structure

    • Wasim Sajjad
    • Xiang-Feng Pan
    • Qura tul Ain

    Original Paper 06 February 2024 Pages: 902 - 921

    

31. Computational repurposing of drugs for viral diseases and current and future pandemics

    • David A. Winkler

    Review Open access 05 February 2024

    

32. Study of oxide-based nano cluster X₃O₄ (X = Ti, Fe and Zn) for biomedical applications: a CDFT approach

    • Shayeri Das
    • Prabhat Ranjan
    • Tanmoy Chakraborty

    Original Paper 04 February 2024

    

33. Generalized transmission neighbor indices: graph connectivity analysis and its chemical relevance

    • D. Vyshnavi
    • B. Chaluvaraju

    Original Paper 03 February 2024 Pages: 887 - 901

    

34. Laws of physical chemistry: a potential tool for generating some series and to evaluate their sum

    • Paulami Ghosh
    • Nabakumar Bera

    Original Paper 30 January 2024 Pages: 865 - 886

    

35. Numerical simulation of the time fractional Gray-Scott model on 2D space domains using radial basis functions

    • Harshad Sakariya
    • Sushil Kumar

    Original Paper 27 January 2024 Pages: 836 - 864

    

36. Hess’ law requires modified mathematical rules for information entropy of interdependent chemical reactions

    • Denis Sh. Sabirov
    • Alexandra D. Zimina
    • Alina A. Tukhbatullina

    Original Paper 23 January 2024 Pages: 819 - 835

    

37. Physicochemical significance of ChemDraw and Dragon computed parameters: correlation studies in the sets with aliphatic and aromatic substituents

    • Anil Kumar Saxena
    • Ankit Kumar Gupta
    • Karanpreet Singh Bhatia

    Original Paper 18 January 2024

38. Inductive proof of Borchardt’s theorem

    • Andy A. Chavez
    • Alec P. Adam
    • Ramón Alain Miranda-Quintana

    Brief Report 10 January 2024 Pages: 802 - 808

39. An exceedingly effective and inexpensive two-step, fourteenth-order phase-fitting method for solving quantum chemical issues

    • Marina A. Medvedeva
    • T. E. Simos

    Original Paper 10 January 2024 Pages: 761 - 801

    

40. Slow invariant manifold assessment for efficient production of H₂SO₄ by SO₂: a computational approach

    • Shuguang Li
    • Faisal Sultan
    • El-Sayed M. Sherif

    Original Paper 10 January 2024

    

41. 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

    • M. Melgaard
    • V. J. J. Syrjanen

    Original Paper Open access 08 January 2024 Pages: 711 - 760

42. An implicit scheme for time-fractional coupled generalized Burgers’ equation

    • J. Vigo-Aguiar
    • Reetika Chawla
    • Tapas Mazumdar

    Original Paper 06 January 2024 Pages: 689 - 710

    

43. An alternative approach to normalizing the Coulomb \(R_{n \ell }(r)\) radial solutions

    • B. Cameron Reed
    • Gregory L. Bason

    Original Paper 04 January 2024 Pages: 681 - 688

44. Pure quadratization and solution of ordinary differential equations by probabilistic evolution theory with concurrent computation of coefficients using exact arithmetic

    • Coşar Gözükırmızı

    Original Paper 30 December 2023 Pages: 654 - 680

    

45. Optical solutions to the truncated M-fractional Schrödinger–KdV equation via an analytical method

    • Jamshad Ahmad
    • Zulaikha Mustafa
    • Muhammad Nadeem

    Original Paper 23 December 2023

    

46. An efficient multi-derivative numerical method for chemical boundary value problems

    • Esra Celik
    • Huseyin Tunc
    • Murat Sari

    Original Paper 20 December 2023 Pages: 634 - 653

    

47. Quantum-mechanical four-body versus semi-classical three-body theories for double charge exchange in collisions of fast alpha particles with helium targets

    • Dževad Belkić

    Original Paper Open access 15 December 2023 Pages: 606 - 633

    

48. Quantifying the distortion by spin–orbit and spin–spin coupling in molecular clusters using Molecular Quantum Similarity

    • Alejandro Morales-Bayuelo

    Original Paper 13 December 2023 Pages: 591 - 605

    

49. Two energies for conjoining boron nitride nanotorus and nanotube

    • Nawa A. Alshammari

    Original Paper Open access 12 December 2023 Pages: 579 - 590

    

50. Hybrid random batch idea and nonlinear conjugate gradient method for accelerating charged polymer dynamics simulation

    • Hao Lin
    • Yiwei Shi
    • Shuyang Dai

    Original Paper 11 December 2023 Pages: 555 - 578