Lanthanide complexes Sparkle Model: MOPAC source code implementation, links to the papers and supplementary materials.
- Keywords:
- lanthanide complexes, sparkle model, molecular modeling, computational chemistry, rare earth ions, gadolinium, europium, samarium, holmium, ytterbium, thulium, terbium, dysprosium, praseodymium, promethium
http://www.sparkle.pro.br
Ideal-gas thermochemistry. Comparisons between theory and experiment.
- Keywords:
- Computational chemistry, thermochemistry, ab initio, enthalpy, entropy, vibrational frequencies, molecular geometries, dipole moment, polarizability, atomic charges, vibrational scaling factor, heat of formation, bond length
http://srdata.nist.gov/cccbdb/
- Keywords:
- Svenska Kemen, Laboratory, for, Instruction, in, Swedish
http://www.chem.helsinki.fi/Education/RQC
No Title
http://www.ccl.net/cca/documents/basis-sets/basis.html
http://www.ipam.ucla.edu/programs/es2002/
http://srdata.nist.gov/sicklist/
http://www.fz-juelich.de/nic-series/volume10/volume10.html
http://www.fz-juelich.de/nic-series/volume11/volume11.html
http://www.fz-juelich.de/nic-series/Volume2/Volume2.html
http://www.fz-juelich.de/nic-series/Volume3/Volume3.html
http://www.cup.uni-muenchen.de/oc/zipse/lv18099/semi1.html
http://www.emsl.pnl.gov/forms/basisform.html
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