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 6708 to 6727 of 25917 < previous   next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg24-Jul-2020HMo6O20Petrus, EnricADF; 2019Geometry optimizationPBETZP-
Login required15-May-2020HMo7O23Petrus, EnricADF; 2019Geometry optimizationPBETZP-
thumbnail.jpeg24-Jul-2020HMo7O23Petrus, EnricADF; 2019Geometry optimizationPBETZP-
Login required15-May-2020HMo7O24Petrus, EnricADF; 2019Geometry optimizationPBETZP-
thumbnail.jpeg24-Jul-2020HMo7O24Petrus, EnricADF; 2019Geometry optimizationPBETZP-
Login required15-May-2020HMo8O26Petrus, EnricADF; 2019Geometry optimizationPBETZP-
thumbnail.jpeg24-Jul-2020HMo8O26Petrus, EnricADF; 2019Geometry optimizationPBETZP-
Login required15-May-2020HMoO4Petrus, EnricADF; 2019Geometry optimizationPBETZP-
thumbnail.jpeg24-Jul-2020HMoO4Petrus, EnricADF; 2019Geometry optimizationPBETZP-
thumbnail.jpeg4-Dec-2019HMPAOrtuño, ManuelGaussian; 09; EM64L-G09RevD.01Single point TSRM062X6-31G** 6-31+G* GEN-820.114235670; Eh
thumbnail.jpeg24-Jan-2019HNEt3Fondevila, Adiran J. De AguirreGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311++G**-293.0014291; Eh
thumbnail.jpeg3-May-2020hno3Petrus, EnricADF; 2016Geometry optimizationPBETZP-
thumbnail.jpeg27-Feb-2019_HO--OH_-1Fondevila, Adiran J. De AguirreGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUB3LYP6-31+G*-151.713681100; Eh
thumbnail.jpeg27-Feb-2019_HO--OH_-2Fondevila, Adiran J. De AguirreGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31+G*-151.895544104; Eh
thumbnail.jpeg9-Feb-2018HOAcFunes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Single point StructureRM062X--229.072877151; Eh
thumbnail.jpeg19-Apr-2018HOAcFunes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Single point StructureRB97D6-311++G**-229.027753039; Eh
thumbnail.jpeg13-Jul-2018HOAcFunes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Single point StructureRB97D6-311++G**-229.029637975; Eh
thumbnail.jpeg9-Jul-2019HOAcFunes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Single point StructureRM062X6-311++G** GEN-229.0740788; Eh
thumbnail.jpeg9-Jul-2019HOCOCF3Funes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Single point StructureRM062X6-311++G** GEN-526.7965489; Eh
thumbnail.jpeg8-Mar-2018HOtBuFunes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Single point StructureRwB97XD6-311+G**-233.680591211; Eh