Search

Current filters:
Add filters:
Item hits:
PreviewTitleAuthor(s)ProgramMethod(s)Basis SetEnergySolv.Vibr.
thumbnail.jpeg/Gas_Opt/B3LYP/CC/SOLV SOLVGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01RB3LYP--499.8093339; Eh
thumbnail.jpeg/Gas_Opt/B3LYP/CC CCGonzález Fabra, JoanGaussian; 09; EM64L-G09RevA.02RB3LYP--499.799288481; Eh
thumbnail.jpeg/Gas_Opt/B3LYP/FC/SOLV SOLVGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01RB3LYP6-311G**-1679.8273796; Eh
thumbnail.jpeg/Gas_Opt/B3LYP/FC FCGonzález Fabra, JoanGaussian; 09; EM64L-G09RevA.02RB3LYP6-311G**-1679.80447689; Eh
thumbnail.jpeg/Gas_Opt/B3LYP/IC/SOLV SOLVGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01RB3LYP6-311G**-1491.1613417; Eh
thumbnail.jpeg/Gas_Opt/B3LYP/IC ICGonzález Fabra, JoanGaussian; 09; EM64L-G09RevA.02RB3LYP6-311G**-1491.14619951; Eh
thumbnail.jpeg/Gas_Opt/B3LYP/Int1/SOLV SOLVGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01RB3LYP6-311G**-1502.732974; Eh
thumbnail.jpeg/Gas_Opt/B3LYP/Int1 Int1González Fabra, JoanGaussian; 09; EM64L-G09RevA.02RB3LYP6-311G**-1502.67692450; Eh
thumbnail.jpeg/Gas_Opt/B3LYP/Int2/SOLV SOLVGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01RB3LYP6-311G**-1691.3688454; Eh
thumbnail.jpeg/Gas_Opt/B3LYP/Int2 Int2González Fabra, JoanGaussian; 09; EM64L-G09RevA.02RB3LYP6-311G**-1691.31212687; Eh
thumbnail.jpeg/Gas_Opt/B3LYP/Int2_l/SOLV SOLVGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01RB3LYP6-311G**-1691.3791992; Eh
thumbnail.jpeg/Gas_Opt/B3LYP/Int2_l Int2_lGonzález Fabra, JoanGaussian; 09; EM64L-G09RevA.02RB3LYP6-311G**-1691.31771559; Eh
thumbnail.jpeg/Gas_Opt/B3LYP/Reactants/Cat/SOLV SOLVGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01RB3LYP6-311G**-1179.984843; Eh
thumbnail.jpeg/Gas_Opt/B3LYP/Reactants/Cat CatGonzález Fabra, JoanGaussian; 09; EM64L-G09RevA.02RB3LYP6-311G**-1179.96661661; Eh
thumbnail.jpeg/Gas_Opt/B3LYP/Reactants/CO2/SOLV SOLVGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01RB3LYP--188.6434599; Eh
thumbnail.jpeg/Gas_Opt/B3LYP/Reactants/CO2 CO2González Fabra, JoanGaussian; 09; EM64L-G09RevA.02RB3LYP--188.641138787; Eh
thumbnail.jpeg/Gas_Opt/B3LYP/Reactants/Epoxyhexane/SOLV SOLVGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01RB3LYP--311.1398549; Eh
thumbnail.jpeg/Gas_Opt/B3LYP/Reactants/Epoxyhexane EpoxyhexaneGonzález Fabra, JoanGaussian; 09; EM64L-G09RevA.02RB3LYP--311.136170372; Eh
thumbnail.jpeg/Gas_Opt/B3LYP/Reactants/Iodide/SOLV SOLVGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01RB3LYP--11.5658994; Eh
thumbnail.jpeg/Gas_Opt/B3LYP/Reactants/Iodide IodideGonzález Fabra, JoanGaussian; 09; EM64L-G09RevA.02RB3LYP--11.4721100599; Eh
thumbnail.jpeg/Gas_Opt/B3LYP/TS1/SOLV SOLVGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01RB3LYP6-311G**-1502.7178725; Eh
thumbnail.jpeg/Gas_Opt/B3LYP/TS1 TS1González Fabra, JoanGaussian; 09; EM64L-G09RevD.01RB3LYP6-311G**-1502.64499749; Eh
thumbnail.jpeg/Gas_Opt/B3LYP/TS2/SOLV SOLVGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01RB3LYP6-311G**-1691.3609218; Eh
thumbnail.jpeg/Gas_Opt/B3LYP/TS2 TS2González Fabra, JoanGaussian; 09; EM64L-G09RevA.02RB3LYP6-311G**-1691.30756169; Eh
thumbnail.jpeg/Gas_Opt/B3LYP/TS3/SOLV SOLVGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01RB3LYP6-311G**-1691.3628052; Eh
Results 1-25 of 45 (Search time: 0.017 seconds).