rm1.sparkle.pro.br
Software | RM1 Semiempirical Molecular Orbital Model
http://rm1.sparkle.pro.br/rm1-software
RM1 Semiempirical Molecular Orbital Model. RM1 x AM1, PM3, PM5. Hydrogen bond RM1 BH. RM1 is a feature of several molecular modeling softwares:.
rm1.sparkle.pro.br
G09 Keyword: Semi-Empirical | RM1 Semiempirical Molecular Orbital Model
http://rm1.sparkle.pro.br/rm1-software/gaussian09
RM1 Semiempirical Molecular Orbital Model. RM1 x AM1, PM3, PM5. Hydrogen bond RM1 BH. RM1 may be used in Gaussian 09. Parameters can be specified in Gaussian 09 in two different formats: Gaussian and MOPAC, via the Input. 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.
rm1.sparkle.pro.br
HyperChem | RM1 Semiempirical Molecular Orbital Model
http://rm1.sparkle.pro.br/rm1-software/hyperchem
RM1 Semiempirical Molecular Orbital Model. RM1 x AM1, PM3, PM5. Hydrogen bond RM1 BH. Is a new feature. You may download an evaluation copy. If these values appear any different, such as 0.912Å and -134.19kcal.mol. Please, contact Hyperchem support. For the bug fix. In case you are an experienced user. You want to carry out the bug fix yourself, you must first agree with the disclaimer and conditions below. Do the following very carefully:. Find the folder C: Hyper80 Runfiles. And rm1 3.abp. Rm1 2abp rm1...
rm1.sparkle.pro.br
Spartan | RM1 Semiempirical Molecular Orbital Model
http://rm1.sparkle.pro.br/rm1-software/spartan
RM1 Semiempirical Molecular Orbital Model. RM1 x AM1, PM3, PM5. Hydrogen bond RM1 BH. You may request a demo. Excerpt from the Spartan website.
lumpac.pro.br
LUMPAC - Lanthanide Luminescence Software
http://www.lumpac.pro.br/pt_BR/lumpac
Lanthanide Luminescence Software Package -. Pople Computational Chemistry Laboratory. LUMPAC: Lanthanide Luminescence Software Package. LUMPAC carries out a. Theoretical study of luminescence of lanthanide containing systems,. As lanthanide-based luminescent hybrid materials, and can also be applied. Functional materials and bio-sciences. Optimizes the geometries of lanthanide containing systems such as complexes, solids, MOFs, for. Any of the fifteen lanthanide trications. III) to Lu (.
rm1.sparkle.pro.br
MOPAC - earlier versions | RM1 Semiempirical Molecular Orbital Model
http://rm1.sparkle.pro.br/rm1-software/mopac-earlier-versions
RM1 Semiempirical Molecular Orbital Model. RM1 x AM1, PM3, PM5. Hydrogen bond RM1 BH. MOPAC - earlier versions. Calculations can be very easily carried out in earlier versions of MOPAC. By using the keyword AM1 and passing the parameters in file RM1.rm1 via the keyword EXTERNAL, as follows:. Download, unzip, and copy the file RM1.rm1. To the same folder where your MOPAC input .dat file is;. In the first line of the input .dat file, use both keywords AM1. Use keyword AM1 because RM1. SCF FIELD WAS ACHIEVED.
rm1.sparkle.pro.br
Books | RM1 Semiempirical Molecular Orbital Model
http://rm1.sparkle.pro.br/books
RM1 Semiempirical Molecular Orbital Model. RM1 x AM1, PM3, PM5. Hydrogen bond RM1 BH. Computational Methods for Large Systems: Electronic Structure Approaches for Biotechnology and Nanotechnology. Jeffrey R. Reimers. Format: Cloth; 688 pp. Published: 11/10/2011 (1st Edition). Computational Chemistry: Introduction to the Theory and Applications of Molecular and Quantum Mechanics. Errol G. Lewars. Format: Cloth; 680 pp. Published: 10/11/2010 (2nd Edition). Is featured in Chapter 6 entitled:.
rm1.sparkle.pro.br
ConGENER | RM1 Semiempirical Molecular Orbital Model
http://rm1.sparkle.pro.br/rm1-software/congener
RM1 Semiempirical Molecular Orbital Model. RM1 x AM1, PM3, PM5. Hydrogen bond RM1 BH. Is a feature of ConGENER. ConGENER - A Tool for Modeling of the Congeneric Sets of Environmental Pollutants. Author(s): Maciej Haranczyk, Tomasz Puzyn, and Pawe Sadowski. Journal / Book title: QSAR and Combinatorial Science. Excerpt from the article:.
rm1.sparkle.pro.br
AMPAC | RM1 Semiempirical Molecular Orbital Model
http://rm1.sparkle.pro.br/rm1-software/ampac
RM1 Semiempirical Molecular Orbital Model. RM1 x AM1, PM3, PM5. Hydrogen bond RM1 BH. You may submit a demostration request form.