Pyridine and silver clusters

1. RdFreq04.out is Raman calculations of Ag₁₀-pyridine cluster for Incident light frequencies: 295nm, 325nm, 370nm, 514nm, 630nm, 785nm. (BMP picture)
2. RdFreq04_table.txt is corresponding resulting table of Raman scattering activities for the all six incident light frequencies.
3. fAll.txt shows Enhancing factors for all six incident light frequencies.
4. pyrOptlanl2dzRdFreq.out is Raman calculations of pyridine itself for Inncident light frequencies: 295nm, 325nm, 370nm, 514nm, 630nm, 785nm.
5. Ag10pyrTD40.out and Ag10pyrTD.out are TD calculations of excitation energies and oscillator strengths with B3LYP TD(NStates=20)/LANL2DZ and B3LYP TD(NStates=40)/LANL2DZ
6. http://www.rastyr.com/Ag10pyrAn/ is WEB-address for the folder of all this files