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Chemical Research and Consulting Since 1988

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3D visualization of molecular chocolate

Quick Reference Guides

Molecular Modeling. Information on molecular modeling methods & accuracy, geometry optimization techniques, computational chemistry acronyms and definitions, and modeling software collected from various published results, documentation, and personal experience. (Accuracies are averages of typical literature comparisons.) As rapidly as methods evolve, much info is no doubt dated, and several entries are incomplete. Consequently, this guide is offered as an aid to jog one's memory on keywords and capabilities, rather than as a complete and authoritative reference. I'll welcome any help (preferably by email) with filling in missing properties, parameters, or keywords in the incomplete entries.

The modeling summary can also be downloaded in two forms:

  • Text File
  • Newton Book
    • In Stuffed file for installation from MacIntosh
    • In Zipped file for installation from Windows

  • Attending ACS Meetings. Maps of select major US cities, in the form of a Newton Book:
    • In Stuffed file for installation from MacIntosh
    • In Zipped file for installation from Windows

      "Major" is defined chemically, ie. those cities scheduled to host National ACS Meetings in the next several years. This is meant to provide a convenient, albeit basic, set of maps (one general and one detailed for each city) to help avoid Lost Chemist Syndrome, and is offered for use in that light.

  • Chemicals and Chemical Companies. Select, historical information collected and averaged from various public sources from past years. This information is not current, but gives a representative price and yearly volume of major chemicals; yearly sales, R&D budget, and number of patents for major chemical companies. This guide is offered to provide a ball park idea of the volume/size/price/research activity of the major chemicals and chemical companies, rather than as a current and authoritative reference.

    This summary can be downloaded in two forms:

    • Text File
    • Newton Book
      • In Stuffed file for installation from MacIntosh
      • In Zipped file for installation from Windows

    • Back

    9/2/13 Ernest Chamot / Chamot Labs, Inc. / chemical consulting number /     		consultant molecular modeling zeolite catalyst