Works matching IS 02599791 AND DT 2024 AND VI 62 AND IP 10

Results: 27

Guest editorial for the special collection of mathematical chemistry papers.

Published in:

2024

By:

Basak, Subhash C.;
Chakraborty, Tanmoy

Publication type:

Editorial

A comparative simulation study of piezoelectric properties in zigzag and armchair boron nitride nanotubes: by discovering a pioneering protocol.

Published in:

Journal of Mathematical Chemistry, 2024, v. 62, n. 10, p. 2943, doi. 10.1007/s10910-024-01635-3

By:

Adel, Moein;
Keyhanvar, Peyman;
Zahmatkeshan, Masoumeh;
Tavangari, Zahed;
Keyhanvar, Neda

Publication type:

Article

A review on recent theoretical approaches made in the discovery of potential Covid-19 therapeutics.

Published in:

Journal of Mathematical Chemistry, 2024, v. 62, n. 10, p. 2924, doi. 10.1007/s10910-024-01626-4

By:

Bhattacharjee, Apurba K

Publication type:

Article

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

Published in:

Journal of Mathematical Chemistry, 2024, v. 62, n. 10, p. 2912, doi. 10.1007/s10910-024-01586-9

By:

Jiang, Bo;
Lu, Changna;
Fang, Yonglei

Publication type:

Article

Bonding alkane attributes with topological indices: a statistical intervention.

Published in:

Journal of Mathematical Chemistry, 2024, v. 62, n. 10, p. 2889, doi. 10.1007/s10910-024-01584-x

By:

Raja, Nadar Jenita Mary Masilamani;
Anuradha, A.

Publication type:

Article

The linear response function χ(r,r′): another perspective.

Published in:

Journal of Mathematical Chemistry, 2024, v. 62, n. 10, p. 2880, doi. 10.1007/s10910-024-01578-9

By:

Kenouche, Samir;
Martínez-Araya, Jorge I.

Publication type:

Article

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

Published in:

Journal of Mathematical Chemistry, 2024, v. 62, n. 10, p. 2456, doi. 10.1007/s10910-023-01570-9

By:

Hasani, Mehri;
Ghods, Masoud

Publication type:

Article

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

Published in:

Journal of Mathematical Chemistry, 2024, v. 62, n. 10, p. 2827, doi. 10.1007/s10910-023-01569-2

By:

Das, Shayeri;
Ranjan, Prabhat;
Chakraborty, Tanmoy

Publication type:

Article

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

Published in:

Journal of Mathematical Chemistry, 2024, v. 62, n. 10, p. 2844, doi. 10.1007/s10910-023-01568-3

By:

Winkler, David A.

Publication type:

Article

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

Published in:

Journal of Mathematical Chemistry, 2024, v. 62, n. 10, p. 2816, doi. 10.1007/s10910-023-01565-6

By:

Li, Shuguang;
Sultan, Faisal;
Yaseen, Muhammad;
Shahzad, Muhammad;
Sherif, El-Sayed M.

Publication type:

Article

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

Published in:

Journal of Mathematical Chemistry, 2024, v. 62, n. 10, p. 2430, doi. 10.1007/s10910-023-01558-5

By:

Saxena, Anil Kumar;
Gupta, Ankit Kumar;
Bhatia, Karanpreet Singh

Publication type:

Article

On topological indices of third type of hex-derived networks.

Published in:

Journal of Mathematical Chemistry, 2024, v. 62, n. 10, p. 2407, doi. 10.1007/s10910-023-01555-8

By:

Ali, Haidar;
Ali, Didar Abdulkhaleq;
Liaqat, Fareeha;
Yaseen, Muhammad Huzaifa;
Khan, Muhammad Ijaz;
Ali, Shahid;
Almalki, Norah;
Abdullaeva, Barno Sayfutdinovna

Publication type:

Article

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

Published in:

Journal of Mathematical Chemistry, 2024, v. 62, n. 10, p. 2798, doi. 10.1007/s10910-023-01554-9

By:

Ahmad, Jamshad;
Mustafa, Zulaikha;
Nadeem, Muhammad

Publication type:

Article

In silico induction of missense mutation in NNRTI protein: computational modelling and stability study of modelled proteins.

Published in:

Journal of Mathematical Chemistry, 2024, v. 62, n. 10, p. 2776, doi. 10.1007/s10910-023-01545-w

By:

Sule, Laxmi;
Gupta, Swagata;
Jain, Nilanjana;
Sapre, Nitin S.

Publication type:

Article

On topological indices of Molnupiravir and its QSPR modelling with some other antiviral drugs to treat COVID-19 patients.

Published in:

Journal of Mathematical Chemistry, 2024, v. 62, n. 10, p. 2581, doi. 10.1007/s10910-023-01518-z

By:

Das, Shibsankar;
Rai, Shikha;
Kumar, Virendra

Publication type:

Article

Asymptotic behavior of Clebsch–Gordan coefficients.

Published in:

Journal of Mathematical Chemistry, 2024, v. 62, n. 10, p. 2761, doi. 10.1007/s10910-023-01544-x

By:

Akdemir, S.;
Özay, S.;
Öztekin, E.

Publication type:

Article

On exponential geometric-arithmetic index of graphs.

Published in:

Journal of Mathematical Chemistry, 2024, v. 62, n. 10, p. 2740, doi. 10.1007/s10910-023-01542-z

By:

Das, Kinkar Chandra;
Mondal, Sourav

Publication type:

Article

Chirality descriptors for structure–activity relationship modeling of bioactive molecules.

Published in:

Journal of Mathematical Chemistry, 2024, v. 62, n. 10, p. 2388, doi. 10.1007/s10910-023-01531-2

By:

Natarajan, Ramanathan;
Lungu, Claudiu N.;
Basak, Subhash C.

Publication type:

Article

Fibonacci wavelet collocation method for the numerical approximation of fractional order Brusselator chemical model.

Published in:

Journal of Mathematical Chemistry, 2024, v. 62, n. 10, p. 2651, doi. 10.1007/s10910-023-01521-4

By:

Manohara, G.;
Kumbinarasaiah, S.

Publication type:

Article

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.

Published in:

Journal of Mathematical Chemistry, 2024, v. 62, n. 10, p. 2373, doi. 10.1007/s10910-023-01517-0

By:

Toropova, Alla P.;
Toropov, Andrey A.;
Raska Jr., Ivan;
Raskova, Maria;
Carbó-Dorca, Ramon

Publication type:

Article

Mathematical exploration on control of bifurcation for a plankton–oxygen dynamical model owning delay.

Published in:

Journal of Mathematical Chemistry, 2024, v. 62, n. 10, p. 2709, doi. 10.1007/s10910-023-01543-y

By:

Xu, Changjin;
Zhao, Yingyan;
Lin, Jinting;
Pang, Yicheng;
Liu, Zixin;
Shen, Jianwei;
Qin, Youxiang;
Farman, Muhammad;
Ahmad, Shabir

Publication type:

Article

Tutte polynomials for some chemical polycyclic graphs.

Published in:

Journal of Mathematical Chemistry, 2024, v. 62, n. 10, p. 2625, doi. 10.1007/s10910-023-01516-1

By:

Chen, Hanlin

Publication type:

Article

Computational modelling studies on in silico missenses in COVID-19 proteins and their effects on ligand–protein interactions.

Published in:

Journal of Mathematical Chemistry, 2024, v. 62, n. 10, p. 2540, doi. 10.1007/s10910-023-01512-5

By:

Sule, Laxmi;
Gupta, Swagata;
Jain, Nilanjana;
Sapre, Nitin S.

Publication type:

Article

Applications of graph theory in studying protein structure, dynamics, and interactions.

Published in:

Journal of Mathematical Chemistry, 2024, v. 62, n. 10, p. 2562, doi. 10.1007/s10910-023-01511-6

By:

Zhou, Ziyun;
Hu, Guang

Publication type:

Article

Multiple-attribute decision making for green sustainable recycling partner selection based on linguistic r, s, t-spherical fuzzy aggregation information.

Published in:

Journal of Mathematical Chemistry, 2024, v. 62, n. 10, p. 2502, doi. 10.1007/s10910-023-01504-5

By:

Yiarayong, Pairote

Publication type:

Article

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.

Published in:

Journal of Mathematical Chemistry, 2024, v. 62, n. 10, p. 2478, doi. 10.1007/s10910-023-01503-6

By:

Gupta, Swagata;
Jain, Nilanjana;
Sule, Laxmi;
Sapre, Nitin S.

Publication type:

Article

QSPR in molecular spaces: ordering data, {de- & re-} constructing molecular similarity matrices, building their isometric vectors defining statistical-like momenta of molecular polyhedra, and analyzing the structure of a quantum QSPR operator.

Published in:

Journal of Mathematical Chemistry, 2024, v. 62, n. 10, p. 2682, doi. 10.1007/s10910-023-01501-8

By:

Carbó-Dorca, Ramon

Publication type:

Article

Works matching IS 02599791 AND DT 2024 AND VI 62 AND IP 10

Guest editorial for the special collection of mathematical chemistry papers.

A comparative simulation study of piezoelectric properties in zigzag and armchair boron nitride nanotubes: by discovering a pioneering protocol.

A review on recent theoretical approaches made in the discovery of potential Covid-19 therapeutics.

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

Bonding alkane attributes with topological indices: a statistical intervention.

The linear response function χ(r,r′): another perspective.

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

Study of oxide-based nano cluster X<sub>3</sub>O<sub>4</sub> (X = Ti, Fe and Zn) for biomedical applications: a CDFT approach.

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

Slow invariant manifold assessment for efficient production of H<sub>2</sub>SO<sub>4</sub> by SO<sub>2</sub>: a computational approach.

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

On topological indices of third type of hex-derived networks.

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

In silico induction of missense mutation in NNRTI protein: computational modelling and stability study of modelled proteins.

On topological indices of Molnupiravir and its QSPR modelling with some other antiviral drugs to treat COVID-19 patients.

Asymptotic behavior of Clebsch–Gordan coefficients.

On exponential geometric-arithmetic index of graphs.

Chirality descriptors for structure–activity relationship modeling of bioactive molecules.

Fibonacci wavelet collocation method for the numerical approximation of fractional order Brusselator chemical model.

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.

Mathematical exploration on control of bifurcation for a plankton–oxygen dynamical model owning delay.

Tutte polynomials for some chemical polycyclic graphs.

Computational modelling studies on in silico missenses in COVID-19 proteins and their effects on ligand–protein interactions.

Applications of graph theory in studying protein structure, dynamics, and interactions.

Multiple-attribute decision making for green sustainable recycling partner selection based on linguistic r, s, t-spherical fuzzy aggregation information.

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.

QSPR in molecular spaces: ordering data, {de- & re-} constructing molecular similarity matrices, building their isometric vectors defining statistical-like momenta of molecular polyhedra, and analyzing the structure of a quantum QSPR operator.