- Recent articles
- Books
- RM1 x AM1, PM3, PM5
- RM1 software
- RM1 research topics
- QSAR
- ADME-Tox
- Barrier height
- Calixarene
- Cavitand
- CI
- Charges
- Chemical Reactions
- Corrosion Inhibition
- Dispersion
- DNA/RNA
- Docking
- Drug design
- Electrochemistry
- Electron affinity
- Electrostatic Potential
- Enthalpies
- Geometry
- Hydrogen bond RM1_BH
- Inclusion Compounds
- Isotope effect
- Langmuir
- Lanthanide Complexes
- Lanthanides
- Liquid Crystals
- Luminescence
- Natural products
- NMR
- Nanostructures
- Nonlinear optics
- Photochemistry
- pKa
- Polarized MO
- Polymers
- Proteins
- Proton transfer
- QM/MM
- Rare earth metals
- RM1/AM1
- RM1-COSMO
- RM1-SCI
- Self-assembly
- Solvation
- Superdelocalizability
- Vibrations
- Optics
- FAQ
- Sponsors
- Contact
G09 Keyword: Semi-Empirical
RM1 may be used in Gaussian 09
RM1 parameters can be specified in Gaussian 09 in two different formats: Gaussian and MOPAC, via the Input and MOPACExternal options (respectively).
This is fully described in: http://www.gaussian.com/g_tech/g_ur/k_semiempirical.htm
=================================================
Files for running RM1 in Gaussian in both formats can be downloaded from CompChem.net at:
RM1-Gaussian_Format and RM1-MOPAC_Format
Passwords are required for the .rar compressed files.
Please, send the names of the files by e-mail to Mahmoud A. A. Ibrahim to get the password for free, by simply clicking on the following link:
=================================================
