1. PAMoC
  2. Basic Information,Click here to get a list of volumes,
    and eventually click an item to change the current volume.
  3. Credits,Click here to get a list of chapters,
    and eventually click an item to change the current chapter.
  4. None.All sections are embedded in the current page.

Support and Credits

Author

Mario Barzaghi
E-mail: moc.liamg@ihgazrabm.armzrb

Contributors to the PAMoC project

Embodied in the PAMoC code are elements of programs distributed by other groups. In particular:

I take this opportunity to thank these authors. My modifications of their programs have been considerable. Responsibility for any erroneous use of these programs therefore remains with the present author.

It is my pleasure to thank Mark A. Spackman for useful suggestions about the implementation of the penetration energy contribution into the ECDA code.[4Spackman, M. A.  Chem. Phys. Lett. 2006, 418, 158-162.]

I am also in debt with all my colleagues at ISTM for their constant support of and interest in the development of the PAMoC program.

Contributors to the “Electron Density Analysis with PAMoC” website project

In February 2019 a Google search led me to the www.randomservices.org website authored by Kyle Siegrist.[5Kyle Siegrist, "Expository Mathematics in the Digital Age - Title Page"
Convergence (May 2006).
] The clear and appealing structure of this site, the ease of navigation, and the use of advanced (but open and standard) technologies (including small, interactive, HTML5-based web apps designed to illustrate concepts in probability, mathematical statistics, and stochastic processes) caught my attention and led me to reorganize the PAMoC site in the same way, using the Random site as a template. The reproduction of some pieces of information content and the use of some objects downloaded from this site (www.randomservices.org/random/) is firmly and gratefully acknowledged.

Support and Partnerships

The Obligatory Disclaimer

Opinions expressed here are those of the author and not necessarily those of the CNR, the ISTM, or the contributors. The material in this project is provided as a service to the research and educational community. No warranties are expressed or implied as to the correctness or usefulness of the material.

A very large number of tests of the PAMoC code have been performed in order to check as many options as possible, but not all the possible combinations of options have been checked. I have no doubts that errors remain. The author would greatly appreciate comments, suggestions and criticisms by the users of PAMoC; in case of errors the user is kindly requested to contact the author by E-mail, sending a copy of both input and output, or to use the Feedback facility.

Rights and Permissions

This work is licensed under a Creative Commons License. Basically, you are free to copy, distribute, and display this work, to make derivative works, and to make commercial use of the work. However you must give proper attribution and provide a link to the home site: https://pamoc.it.

Thanks!

We are very grateful to the reviewers, contributors, and bug reporters for their support and help.


References

  1. “A simple quantitative model of hydrogen bonding.”
    Spackman, M. A.  J. Chem. Phys. 1986, 85, 6587-6601. doi: 10.1063/1.451441
  2. “Energies of molecular interactions from Bragg diffraction data.”
    Spackman, M. A.; Weber, H. P.; Craven, B. M.   J. Am. Chem. Soc. 1988, 110, 3, 775–782. doi: 10.1021/ja00211a016
  3. Stewart, R. F.; Spackman, M. A.; Flensburg, C. “VALRAY User's Manual”,
    Carnegie Mellon University and University of Copenhagen, Version 2.1, 2000.
  4. “The use of the promolecular charge density to approximate the penetration contribution to intermolecular electrostatic energies.”
    Spackman, M. A.  Chem. Phys. Lett. 2006, 418, 158-162.
  5. "Expository Mathematics in the Digital Age - Title Page"
    Siegrist, Kyle Convergence (May 2006).
    Retrieved March 5, 2019, from https://www.maa.org/press/periodicals/loci/joma/expository-mathematics-in-the-digital-age-title-page.