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An efficient numerical algorithm for solving linear systems with cyclic tridiagonal coefficient matrices Ji-Teng JiaFu-Rong WangYi-Fan Wang Original Paper 08 June 2024
The use of a multistep, cost-efficient fourteenth-order phase-fitting method to chemistry problems Rong XuBin SunT. E. Simos Original Paper 07 June 2024
Chemical dynamics in a radioactive platinum -cerium oxide-water mixture within a vibrating Riga channel subject to sudden pressure gradient onset Sanatan DasPoly KarmakarRabindra Nath Jana Original Paper 05 June 2024
A comparative simulation study of piezoelectric properties in zigzag and armchair boron nitride nanotubes: by discovering a pioneering protocol Moein AdelPeyman KeyhanvarNeda Keyhanvar Original Paper 04 June 2024
Amplitude equation for a diffusion–reaction system in presence of complexing reaction with the activator species: the Brusselator model A. K. Dutt Original Paper 30 May 2024
Correction: Why local softness and local hyper-softness are more appropriate local reactivity descriptors than dual descriptor and Fukui functions? Jorge I. Martínez-Araya Correction 28 May 2024
A review on recent theoretical approaches made in the discovery of potential Covid-19 therapeutics Apurba K Bhattacharjee Review 28 May 2024
A new type of energy-preserving integrators for quasi-bi-Hamiltonian systems Kai LiuTing FuXuhuan Zhou Original Paper 15 May 2024
Positive steady states of a class of power law systems with independent decompositions Al Jay Lan J. AlaminBryan S. Hernandez Original Paper 14 May 2024
A low-cost, two-step fourteenth-order phase-fitting approach to tackling problems in chemistry Marina A. MedvedevaT. E. Simos Original Paper 09 May 2024
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An innovative Vieta–Fibonacci wavelet collocation method for the numerical solution of three-component Brusselator reaction diffusion system of fractional order Manpal SinghS. DasRajeev Original Paper 02 May 2024
Family of phase fitted 3-step second-order BDF methods for solving periodic and orbital quantum chemistry problems Hosein SaadatSanaz Hami Hassan KiyadehAli Safaie Review 30 April 2024 Pages: 1223 - 1250
Numerical representations of AB-type copolymer complexes: analysis of 1H NMR chemical shift patterns in terms of a Smith–Cantor set Howard M. ColquhounRicardo Grau-Crespo Original Paper Open access 30 April 2024
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Chemically inspired Erdős–Rényi hypergraphs Angel Garcia-ChungMarisol Bermúdez-MontañaGuillermo Restrepo Original Paper 05 April 2024 Pages: 1357 - 1383
A time two-grid difference method for nonlinear generalized viscous Burgers’ equation Yang ShiXuehua Yang Original Paper 28 March 2024 Pages: 1323 - 1356
Pivotal condensation and chemical balancing Hans-Christian Herbig Correspondence 27 March 2024 Pages: 1479 - 1519
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A high-order B-spline collocation method for solving a class of nonlinear singular boundary value problems Pradip Roul Original Paper 26 March 2024 Pages: 1308 - 1322
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On the thermal properties of pure and defective Ψ-graphene nanotubes by molecular dynamics simulations Pingfang YuanZhenfeng LiuKeke Chen Original Paper 21 March 2024 Pages: 1209 - 1221
Numerical approach for time-fractional Burgers’ equation via a combination of Adams–Moulton and linearized technique Yonghyeon JeonSunyoung Bu Original Paper 18 March 2024 Pages: 1189 - 1208
Improved rotating Kratzer–Fues oscillator: eigenenergies, eigenfunctions, coherent states and ladder operators Marcin Molski Original Paper 16 March 2024 Pages: 1175 - 1188
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Isomer number patterns in aromatic hydrocarbon chemistry: the numbers speak for themselves Jerry Ray Dias Review 14 March 2024 Pages: 937 - 950
Fourth-order energy-preserving time integrator for solving the sine-Gordon equation Bo JiangChangna LuYonglei Fang Original Paper 14 March 2024
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Adaptive second derivative multistep methods for solving stiff chemical problems Mozhgan EghbaljooGholamreza HojjatiAli Abdi Original Paper 08 March 2024 Pages: 1114 - 1133
The dual descriptor potential Jorge I. Martínez-Araya Original Paper 05 March 2024 Pages: 1094 - 1112
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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. MohantyDivya Sharma Original Paper 23 February 2024 Pages: 973 - 1011
Progress in the valorization of biomass: a statistical perspective Béla BarabásOttilia FülöpGyula Pályi Original Paper Open access 22 February 2024 Pages: 951 - 972
The linear response function \(\chi (\textbf{r}, \textbf{r}^{'})\): another perspective Samir KenoucheJorge I. Martínez-Araya Original Paper 22 February 2024
Calculation of topological indices along with MATLAB coding in QSPR analysis of calcium channel-blocking cardiac drugs Mehri HasaniMasoud Ghods Original Paper 20 February 2024
The kinetics of three coupled irreversible elementary reactions: two parallel mixed second order reactions followed by a first order reaction E. VenturaRodolpho L. R. AlvesSilmar A. do Monte Original Paper 14 February 2024 Pages: 922 - 935
Computation of resistance distance with Kirchhoff index of body centered cubic structure Wasim SajjadXiang-Feng PanQura tul Ain Original Paper 06 February 2024 Pages: 902 - 921
Computational repurposing of drugs for viral diseases and current and future pandemics David A. Winkler Review Open access 05 February 2024
Study of oxide-based nano cluster X3O4 (X = Ti, Fe and Zn) for biomedical applications: a CDFT approach Shayeri DasPrabhat RanjanTanmoy Chakraborty Original Paper 04 February 2024
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