Browsing by Title

Jump to: 0-9 A B C D E F G H I J K L M N O P Q R S T U V W X Y Z
or enter first few letters:  
Showing results 4576 to 4595 of 24578 < previous   next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg17-Oct-2016/Dimer/Al_Cl_I/Poly/Int_p/SOLV SOLVGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Single point StructureRB97D36-311G**-3178.78763403; Eh
thumbnail.jpeg17-Oct-2016/Dimer/Al_Cl_I/Poly/Product ProductGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D36-311G**-3178.73330491; Eh
thumbnail.jpeg17-Oct-2016/Dimer/Al_Cl_I/Poly/Product/SOLV SOLVGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Single point StructureRB97D36-311G**-3178.78844146; Eh
thumbnail.jpeg17-Oct-2016/Dimer/Al_Cl_I/Poly/Scans/Scan/Freq FreqGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization StructureRB97D36-31G*-3177.86857681; Eh
thumbnail.jpeg17-Oct-2016/Dimer/Al_Cl_I/Poly/Scans/Scan2 Scan2González Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D36-31G*-3177.94262806; Eh
thumbnail.jpeg17-Oct-2016/Dimer/Al_Cl_I/Poly/Scans/Scan2/Sum SumGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D36-31G*-3177.93054392; Eh
thumbnail.jpeg17-Oct-2016/Dimer/Al_Cl_I/Poly/Scans/Scan2/Sum/Freq FreqGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization StructureRB97D36-31G*-3177.92202572; Eh
thumbnail.jpeg17-Oct-2016/Dimer/Al_Cl_I/Poly/Scans/Scan2/Sum/Freq/FAIL FAILGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization StructureRB97D36-31G*-3177.92698911; Eh
thumbnail.jpeg17-Oct-2016/Dimer/Al_Cl_I/Poly/Scans/Scan2/Sum/Freq/FAIL/Opt OptGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization Structure-6-31G*-3177.95239751; Eh
thumbnail.jpeg17-Oct-2016/Dimer/Al_Cl_I/Poly/Scans/Scan2/Sum/Freq/FAIL/Opt2 Opt2González Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization Structure-6-31G*-3177.95455581; Eh
thumbnail.jpeg17-Oct-2016/Dimer/Al_Cl_I/Poly/Scans/Scan2/Sum/Freq/FAIL/Opt_fr Opt_frGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D36-31G*-3177.92698916; Eh
thumbnail.jpeg17-Oct-2016/Dimer/Al_Cl_I/Poly/Scans/Scan2/Sum/Freq/Fr FrGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D36-311G**-3178.70375075; Eh
thumbnail.jpeg17-Oct-2016/Dimer/Al_Cl_I/Poly/Scans/Scan_isom Scan_isomGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D36-31G*-3177.93879761; Eh
thumbnail.jpeg17-Oct-2016/Dimer/Al_Cl_I/Poly/TS_p TS_pGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB97D36-311G**-3178.70340236; Eh
thumbnail.jpeg17-Oct-2016/Dimer/Al_Cl_I/Poly/TS_p/SOLV SOLVGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Single point StructureRB97D36-311G**-3178.76004847; Eh
thumbnail.jpeg17-Oct-2016/Dimer/Al_Cl_I/Poly/TS_p_ TS_p_González Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB97D36-311G**-3178.71847352; Eh
thumbnail.jpeg17-Oct-2016/Dimer/Al_Cl_I/Poly/TS_p_/SOLV SOLVGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Single point StructureRB97D36-311G**-3178.77339186; Eh
thumbnail.jpeg17-Oct-2016/Dimer/Al_Cl_I/Reactants/CAT/SOLV SOLVGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Single point StructureRB97D36-311G**-1179.51994782; Eh
thumbnail.jpeg17-Oct-2016/Dimer/Al_Cl_I/Reactants/CHO CHOGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D3--309.725460839; Eh
thumbnail.jpeg17-Oct-2016/Dimer/Al_Cl_I/Reactants/CHO/SOLV SOLVGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Single point StructureRB97D3--309.728908968; Eh