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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 1-Jul-2019 | /dispersion/Fe_13/Eoh dispersion_Fe-13-OH | Craig, Michael | Gaussian; 09; EM64L-G09RevA.02 | Single point Structure | UTPSSh | LANL2DZ 6-31G(D) 6-31G(D,P) 6-31+G(D) GEN | -2495.9055379; Eh | |||
 | 1-Jul-2019 | /dispersion/Fe_13/Evac dispersion_Fe-13-2VAC | Craig, Michael | Gaussian; 09; EM64L-G09RevA.02 | Single point Structure | UTPSSh | LANL2DZ 6-31G(D) 6-31G(D,P) 6-31+G(D) GEN | -2420.0992846; Eh | |||
 | 1-Jul-2019 | /dispersion/Mn_11/Evac dispersion_Mn-11-VAC-freq | Craig, Michael | Gaussian; 09; EM64L-G09RevA.02 | Single point Structure | UTPSSh | LANL2DZ 6-31G(D) 6-31G(D,P) 6-31+G(D) GEN | -1227.0814108; Eh | |||
 | 1-Jul-2019 | /dispersion/Mn_10/Eo4 dispersion_Mn-10-O | Craig, Michael | Gaussian; 09; EM64L-G09RevA.02 | Single point Structure | UTPSSh | LANL2DZ 6-31G(D) 6-31G(D,P) 6-31+G(D) GEN | -1341.9929743; Eh | |||
 | 1-Jul-2019 | /dispersion/Ru_7/Eooh dispersion_Ru-7-OOH-freq | Craig, Michael | Gaussian; 09; EM64L-G09RevA.02 | Single point Structure | UTPSSh | LANL2DZ 6-31G(D) 6-31G(D,P) 6-31+G(D) GEN | -1860.2314288; Eh | |||
 | 1-Jul-2019 | /dispersion/Ru_6/Eo5 dispersion_Ru-6-Oc-dispf2b-cartesian | Craig, Michael | Gaussian; 09; EM64L-G09RevA.02 | Single point Structure | UTPSSh | LANL2DZ 6-31G(D) 6-31G(D,P) 6-31+G(D) GEN | -1438.8107522; Eh | |||
 | 1-Jul-2019 | /dispersion/Ru_9/Eoh dispersion_Ru-9-OH-freq | Craig, Michael | Gaussian; 09; EM64L-G09RevA.02 | Single point Structure | UTPSSh | LANL2DZ 6-31G(D) 6-31G(D,P) 6-31+G(D) GEN | -1984.2001931; Eh | |||
 | 1-Jul-2019 | /dispersion/Ru_5/Eooh dispersion_Ru-5-OOH-freq-disp | Craig, Michael | Gaussian; 09; EM64L-G09RevA.02 | Single point Structure | UTPSSh | LANL2DZ 6-31G(D) 6-31G(D,P) 6-31+G(D) GEN | -1693.7813455; Eh | |||
 | 1-Jul-2019 | /dispersion/Ru_5/Eo dispersion_Ru-5-O-disp | Craig, Michael | Gaussian; 09; EM64L-G09RevA.02 | Single point Structure | UTPSSh | LANL2DZ 6-31G(D) 6-31G(D,P) 6-31+G(D) GEN | -1617.9918496; Eh | |||
 | 1-Jul-2019 | /dispersion/Ru_5/Eoh dispersion_Ru-5-OH-freq-disp | Craig, Michael | Gaussian; 09; EM64L-G09RevA.02 | Single point Structure | UTPSSh | LANL2DZ 6-31G(D) 6-31G(D,P) 6-31+G(D) GEN | -1618.6377027; Eh |
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