Browsing by Author Funes-Ardoiz, Ignacio

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 1 to 20 of 413  next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg8-Mar-20181Funes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Single point StructureONIOM; wB97XD; UFF6-311+G**-1476.85366829; Eh
thumbnail.jpeg19-Apr-201810Funes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Single point StructureUB97D6-311++G**-2993.91498325; Eh
thumbnail.jpeg19-Apr-201810pFunes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Single point StructureUB97D6-311++G**-2993.91562074; Eh
thumbnail.jpeg13-Jul-201810tFunes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Single point StructureUB97D6-311++G**-3434.55927067; Eh
thumbnail.jpeg19-Apr-201811Funes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Single point StructureUB97D6-311++G**-2993.94930150; Eh
thumbnail.jpeg19-Apr-201811pFunes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Single point StructureUB97D6-311++G**-2993.94658089; Eh
thumbnail.jpeg13-Jul-201811tFunes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Single point StructureUB97D6-311++G**-3434.58993651; Eh
thumbnail.jpeg19-Apr-201812Funes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Single point StructureUB97D6-311++G**-2993.96097200; Eh
thumbnail.jpeg19-Apr-201812-CuII-CuIFunes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUB97DLANL2DZ; 6-31G*-2229.97704733; Eh
thumbnail.jpeg19-Apr-201812-CuII-CuIIFunes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUB97DLANL2DZ; 6-31G*-2690.18282585; Eh
thumbnail.jpeg19-Apr-201812-RhIFunes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97DLANL2DZ; 6-31G*-303.048678591; Eh
thumbnail.jpeg19-Apr-201812-RhIIFunes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUB97DLANL2DZ; 6-31G*-763.343446901; Eh
thumbnail.jpeg13-Jul-201812tFunes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Single point StructureUB97D6-311++G**-2401.32022774; Eh
thumbnail.jpeg19-Apr-201813Funes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Single point StructureUB97D6-311++G**-2226.89862742; Eh
thumbnail.jpeg19-Apr-201813singFunes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Single point StructureRB97D6-311++G**-2226.90567885; Eh
thumbnail.jpeg13-Jul-201813tFunes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Single point StructureUB97D6-311++G**-2630.37502707; Eh
thumbnail.jpeg13-Jul-201814tFunes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Single point StructureUB97D6-311++G**-1383.53695788; Eh
thumbnail.jpeg19-Apr-201815Funes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Single point StructureRB97D6-311++G**-1070.23762222; Eh
thumbnail.jpeg19-Apr-201815AgFunes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Single point StructureRB97D6-311++G**-1819.28779144; Eh
thumbnail.jpeg19-Apr-201815pFunes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Single point StructureRB97D6-311++G**-1070.23640683; Eh