MOBCAL - A Program to Calculate Mobilities

Description of contained files:

  mobcal.txt: A description

mobcal.f: The code

mobcal.run: An example of a small input file

a1A10.mfj: An example of a data file

a1A10.out: An example of an output file

 

Software downloaded here:


mobcal.txt: Description of program and instructions

mobcal.zip: MS-Windows zipped archive

mobcal.exe: MS-Windows self-extracting zipped archive
  mobcal.tar.gz: Unix tar compressed and gzipped archive

 

References:

M. F. Mesleh, J. M. Hunter, A. A. Shvartsburg, G. C. Schatz, and M. F. Jarrold, Structural Information from Ion Mobility Measurements: Effects of the Long Range Potential, J. Phys. Chem. 1996, 100, 16082-16086; Erratum, J. Phys. Chem. A 1997, 101, 968.

A. A. Shvartsburg and M. F. Jarrold, An Exact Hard Spheres Scattering Model for the Mobilities of Polyatomic Ions, Chem. Phys. Lett. 1996, 261, 86-91.