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Browsing by Subject Scanning probe microscopy

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Showing results 1 to 20 of 41  next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required30-Jan-2024/Ligand_Substituent_Effects_Polyoxometalates/Other V6_4aKawa, SebastianGaussian; 16; ES64L-G16RevC.02Geometry optimization MinimumRB3LYPDEF2TZVPP-7825.00117245; Eh
Login required30-Jan-2024/Ligand_Substituent_Effects_Polyoxometalates/Other V6_4a_ADEKawa, SebastianGaussian; 16; ES64L-G16RevC.02Geometry optimization MinimumUB3LYPDEF2TZVPP-7824.90380271; Eh
Login required30-Jan-2024/Ligand_Substituent_Effects_Polyoxometalates/Other V6_4a_VDEKawa, SebastianGaussian; 16; ES64L-G16RevC.02Single point StructureUB3LYPDEF2TZVPP-7824.8885865; Eh
Login required30-Jan-2024/Ligand_Substituent_Effects_Polyoxometalates/Other V6_4cKawa, SebastianGaussian; 16; ES64L-G16RevC.02Geometry optimization MinimumRB3LYPDEF2TZVPP-8202.27516160; Eh
Login required30-Jan-2024/Ligand_Substituent_Effects_Polyoxometalates/Other V6_4c_VDEKawa, SebastianGaussian; 16; ES64L-G16RevC.02Single point StructureUB3LYPDEF2TZVPP-8202.1461575; Eh
Login required30-Jan-2024/Ligand_Substituent_Effects_Polyoxometalates/V6_Ad V6-AdKawa, SebastianGaussian; 16; ES64L-G16RevC.02Single point MinimumRB3LYPDEF2TZVPP-
Login required30-Jan-2024/Ligand_Substituent_Effects_Polyoxometalates/V6_Ad V6-Ad_ADEKawa, SebastianGaussian; 16; ES64L-G16RevC.02Single point StructureUB3LYPDEF2TZVPP-
Login required30-Jan-2024/Ligand_Substituent_Effects_Polyoxometalates/V6_Ad V6-Ad_m06Kawa, SebastianGaussian; 16; ES64L-G16RevC.02Geometry optimization MinimumRM062XDEF2TZVPP-8979.53150131; Eh
Login required30-Jan-2024/Ligand_Substituent_Effects_Polyoxometalates/V6_Ad V6-Ad_m06_ADEKawa, SebastianGaussian; 16; ES64L-G16RevC.02Single point StructureUM062XDEF2TZVPP-
Login required30-Jan-2024/Ligand_Substituent_Effects_Polyoxometalates/V6_Ad V6-Ad_m06_VDEKawa, SebastianGaussian; 16; ES64L-G16RevC.02Single point StructureUM062XDEF2TZVPP-8979.3661938; Eh
Login required30-Jan-2024/Ligand_Substituent_Effects_Polyoxometalates/V6_Ad V6-Ad_pbe1pbeKawa, SebastianGaussian; 16; ES64L-G16RevC.02Single point StructureRPBE1PBEDEF2TZVPP-
Login required30-Jan-2024/Ligand_Substituent_Effects_Polyoxometalates/V6_Ad V6-Ad_pbe1pbe_ADEKawa, SebastianGaussian; 16; ES64L-G16RevC.02Single point StructureUPBE1PBEDEF2TZVPP-
Login required30-Jan-2024/Ligand_Substituent_Effects_Polyoxometalates/V6_Ad V6-Ad_pbe1pbe_VDEKawa, SebastianGaussian; 16; ES64L-G16RevC.02Single point Structure-DEF2TZVPP-8976.38239246; Eh
Login required30-Jan-2024/Ligand_Substituent_Effects_Polyoxometalates/V6_Ad V6-Ad_VDEKawa, SebastianGaussian; 16; ES64L-G16RevC.02Single point StructureUB3LYPDEF2TZVPP-8981.5953009; Eh
Login required30-Jan-2024/Ligand_Substituent_Effects_Polyoxometalates/V6_CH3 V6-CH3Kawa, SebastianGaussian; 16; ES64L-G16RevC.02Geometry optimization MinimumRB3LYPDEF2TZVPP-7487.43152952; Eh
Login required30-Jan-2024/Ligand_Substituent_Effects_Polyoxometalates/V6_CH3 V6-CH3_ADEKawa, SebastianGaussian; 16; ES64L-G16RevC.02Geometry optimization MinimumUB3LYPDEF2TZVPP-7487.35246613; Eh
Login required30-Jan-2024/Ligand_Substituent_Effects_Polyoxometalates/V6_CH3 V6-CH3_m06Kawa, SebastianGaussian; 16; ES64L-G16RevC.02Geometry optimization MinimumRM062XDEF2TZVPP-7485.95337099; Eh
Login required30-Jan-2024/Ligand_Substituent_Effects_Polyoxometalates/V6_CH3 V6-CH3_m06_ADEKawa, SebastianGaussian; 16; ES64L-G16RevC.02Geometry optimization MinimumUM062XDEF2TZVPP-7485.87061025; Eh
Login required30-Jan-2024/Ligand_Substituent_Effects_Polyoxometalates/V6_CH3 V6-CH3_m06_VDEKawa, SebastianGaussian; 16; ES64L-G16RevC.02Single point StructureUM062XDEF2TZVPP-7485.8309107; Eh
Login required30-Jan-2024/Ligand_Substituent_Effects_Polyoxometalates/V6_CH3 V6-CH3_pbe1pbeKawa, SebastianGaussian; 16; ES64L-G16RevC.02Geometry optimization MinimumRPBE1PBEDEF2TZVPP-7483.96651869; Eh
Showing results 1 to 20 of 41  next >