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.jpeg18-Feb-2021/Mechanism_Details/Pyridine_Based Rot_EsterGaray Ruiz, DiegoGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XD6-311G(D,P)-670.537964942; Eh
thumbnail.jpeg18-Feb-2021/Mechanism_Details/Pyridine_Based Or_EsterGaray Ruiz, DiegoGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XD6-311G(D,P)-670.535536841; Eh
thumbnail.jpeg18-Feb-2021/Mechanism_Details/Pyridine_Based HC_PyHGaray Ruiz, DiegoGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XD6-311G(D,P)-670.519018688; Eh
thumbnail.jpeg18-Feb-2021/Mechanism_Details/Alt_Pathways Adduct_Water_DimerGaray Ruiz, DiegoGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XD6-311G(D,P)-575.149012857; Eh
thumbnail.jpeg18-Feb-2021/Mechanism_Details/Alt_Pathways Adduct_tBuOHGaray Ruiz, DiegoGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XD6-311G(D,P)-655.955352295; Eh
thumbnail.jpeg18-Feb-2021/Mechanism_Details/Alt_Pathways Adduct_WaterGaray Ruiz, DiegoGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XD6-311G(D,P)-498.702652491; Eh
thumbnail.jpeg18-Feb-2021/Water Reactive_ComplexGaray Ruiz, DiegoGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XD6-311G(D,P)-670.401709972; Eh
thumbnail.jpeg18-Feb-2021/Toluene Py_Add_ProdGaray Ruiz, DiegoGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XD6-311G(D,P)-670.499783900; Eh
thumbnail.jpeg18-Feb-2021/Toluene PeroxyformateGaray Ruiz, DiegoGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XD6-311G(D,P)-422.133035387; Eh
thumbnail.jpeg18-Feb-2021/Toluene tBuOHGaray Ruiz, DiegoGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XD6-311G(D,P)-233.677127703; Eh
Results 1-10 of 216 (Search time: 0.002 seconds).