Collection
Special Issue: Recent Advances in Mathematical and Theoretical Chemistry
This special issue will primarily consist of papers which were presented in the 8th Indo-US Mathematical Chemistry Workshop (Virtual Mode), but submissions from researchers who were unable to attend are also welcome.
Editors
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Dr.Tanmoy Chakraborty
is serving as Professor, Department of Chemistry and Biochemistry, School of Basic Sciences and Research, Sharda University. He has been working in the challenging field of computational and theoretical chemistry for 17 years. His research interest spreads over Conceptual Density Functional Theory and its applications in material property, chemical reactivity and QSAR / QSPR studies. Dr Chakraborty has published a good number of research papers (more than 70) in peer-reviewed international journals with high impact factors. He has edited a number of research books and written a few book chapters with International reputed publishing houses.
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Dr. Subhash C. Basak
Dr. Subhash C. Basak, Adjunct Professor (Retired), Department of Chemistry and Biochemistry, University of Minnesota Duluth, USA, has been carrying out research in mathematical and computational chemistry since 1975. He has published 311 research articles, 38 book chapters and 4 books (https://www.researchgate.net/profile/Subhash-Basak/research). As US Chairperson he organized 14 binational mathematical chemistry workshops in India, USA, and South America. He received USD 7,466,017 as grants. He is the past president, International Society of Mathematical chemistry, and a member of the International Academy of Mathematical Chemistry.
Articles (32 in this collection)
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Generalized transmission neighbor indices: graph connectivity analysis and its chemical relevance
Authors
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Slow invariant manifold assessment for efficient production of H2SO4 by SO2: a computational approach
Authors (first, second and last of 5)
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Optical solutions to the truncated M-fractional Schrödinger–KdV equation via an analytical method
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In silico induction of missense mutation in NNRTI protein: computational modelling and stability study of modelled proteins
Authors (first, second and last of 4)
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Mathematical exploration on control of bifurcation for a plankton–oxygen dynamical model owning delay
Authors (first, second and last of 9)
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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
Authors (first, second and last of 5)
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Computational modelling studies on in silico missenses in COVID-19 proteins and their effects on ligand–protein interactions
Authors (first, second and last of 4)
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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
Authors (first, second and last of 4)
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Application of floating spherical Gaussian orbital approach in redefining the atomic periodic descriptor
Authors (first, second and last of 4)
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Theoretical understanding of mechanochemical (ball-milling) synthesis of thioethers: a CDFT approach
Authors (first, second and last of 4)
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