J F Ogilvie

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16 years, 298 days

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These are Posts that have been published by J F Ogilvie

            We announce the release of a new book, of title Fourier Transforms for Chemistry, which is in the form of a Maple worksheet.  This book is freely available through Maple Application Centre, either as a Maple worksheet with no output from commands or as a .pdf file with all output and plots.

            This interactive electronic book in the form of a Maple worksheet comprises six chapters containing Maple commands, plus an overview 0 as an introduction.  The chapters have content as follows.

  -   1    continuous Fourier transformation

  -   2    electron diffraction of a gaseous sample

  -   3    xray diffraction of a crystal and a powder

  -   4    microwave spectrum of a gaseous sample

  -   5    infrared and Raman spectra of a liquid sample

  -   6    nuclear magnetic resonance of various samples

            This book will be useful in courses of physical chemistry or devoted to the determination of molecular structure by physical methods.  Some content, duly acknowledged, has been derived and adapted from other authors, with permission.

When this question was asked here earlier, I neglected to suggest or to emphasize two further items.  Now, on revising Mathematics for Chemistry with [Maple], I recognise that I should have included these two objectives for inclusion in Maple 2021.

- an extended and improved spreadsheet with symbolic capability; I suspect that Maple was the only software for symbolic computation to include such a facility, which sadly has become deprecated, for no obvious reason.

- a much extended capability to solve integral equations; publications dating from 1976 -- i.e. before Maple! -- have shown what is possible; Maple's capabilities for differential equations might still be superior, although the competition is becoming close, so further efforts in the development of both differential and integral equations are timely and appropriate.  Related to differential equations is naturally the extension of capabilities of special functions, both to extend present functions and to produce new functions, such as those of Lame.

    A powerful approach to the teaching and learning of mathematics for students of science and engineering has been made practical through the development of powerful general mathematical software, of which Maple provides the least steep learning curve.  Accordingly, it is timely to produce an interactive electronic textbook that, for students of chemistry -- also biochemistry and chemical engineering, has as its objective in part I,
Mathematics for...

     I suppose that Maple 15 is now in the stage of beta testing, but I have not served as a beta tester for a few years.

     Those scientists and mathematicians who apply Maple in teaching mathematics, science and engineering or who use it in their research naturally wonder what will be in store in the next release to complement and to extend the features in preceding releases. 

     I have no...

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