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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/Cu_15/Evac dispersion_Cu-15-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 | -1353.6093323; Eh | |||
 | 1-Jul-2019 | /dispersion/Co_16/Eoh dispersion_Co-16-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 | -1765.2503147; Eh | |||
 | 1-Jul-2019 | /dispersion/Fe_14/Eooh dispersion_Fe-14-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 | -1192.7671854; 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_12/Evac dispersion_Mn-12-VAC-octet-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 | -1919.7067709; Eh | |||
 | 1-Jul-2019 | /dispersion/Mn_12/Eoh dispersion_Mn-12-OH-freqc | Craig, Michael | Gaussian; 09; EM64L-G09RevA.02 | Single point Structure | UTPSSh | LANL2DZ 6-31G(D) 6-31G(D,P) 6-31+G(D) GEN | -1995.5285281; 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/Mn_10/Eoh dispersion_Mn-10-OHb-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 | -1342.6267394; Eh | |||
 | 1-Jul-2019 | /dispersion/Cu_15/Eo dispersion_Cu-15-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 | -1428.7151615; Eh | |||
 | 1-Jul-2019 | /dispersion/Ni_17/Eoh dispersion_Ni-17-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 | -2381.2899926; Eh |
Results 11-20 of 83 (Search time: 0.001 seconds).