Search        

Current filters:
Add filters:

Use filters to refine the search results.

Item hits:
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg31-Jul-2015/Butylamine/Catalyzed/TBD/Int2 Int2González Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D3--1034.03162584; Eh
thumbnail.jpeg31-Jul-2015/Butylamine/Catalyzed/Water/2_Water/Scan ScanGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization Minimum---0.472991347417; Eh
thumbnail.jpeg29-Feb-2016RCa-cisGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D36-311G**-1998.47459295; Eh
thumbnail.jpeg29-Feb-2016Scan-a-cisGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D36-31G*-1997.93947547; Eh
thumbnail.jpeg29-Feb-2016Scan-b-transGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D36-31G*-1997.94129583; Eh
thumbnail.jpeg29-Feb-2016Scan-b-cisGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D36-31G*-1997.94164672; Eh
thumbnail.jpeg29-Feb-2016RCb-transGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D36-311G**-1998.47568106; Eh
thumbnail.jpeg29-Feb-2016FCb-transGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D36-311G**-669.349863209; Eh
thumbnail.jpeg29-Feb-2016Int1b-transGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D36-311G**-1808.14445564; Eh
thumbnail.jpeg29-Feb-2016Int1b-cisGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D36-311G**-1808.14479720; Eh
Results 1-10 of 800 (Search time: 0.002 seconds).