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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg1-Dec-2021PR155Garay Ruiz, DiegoGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRM062X; RCCSDGEN AUG-CC-PVTZ-323.8857545; Eh
thumbnail.jpeg1-Dec-2021CH2Garay Ruiz, DiegoGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRM062X; RCCSDGEN AUG-CC-PVTZ-39.0645694; Eh
thumbnail.jpeg29-Sep-2021CO2Villar-Yanez, AlbaGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRPBE1PBESDD SDD/DEF2TZV-188.339412219; Eh
Login required6-Apr-2022/6_Wells-Dawson/Mo/X=Si/Qmodel2 Qmodel2Segado, MireiaGaussian; 09; EM64L-G09RevD.01Single point StructureRBP86LANL2DZ-5894.0027832; Eh
Login required6-Apr-2022/6_Wells-Dawson/W/X=P/Qmodel2 Qmodel2Segado, MireiaGaussian; 09; EM64L-G09RevD.01Single point StructureRBP86LANL2DZ-5905.0279303; Eh
Login required6-Apr-2022/5_Keggin/Mo/X=P/OPT_IR OPT_IRSegado, MireiaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRBP86DEF2TZVP-4174.88825215; Eh
Login required6-Apr-2022/5_Keggin/Mo/X=Al/Qmodel2 Qmodel2Segado, MireiaGaussian; 09; EM64L-G09RevD.01Single point StructureRBP86LANL2DZ-3825.8068817; Eh
Login required6-Apr-2022/5_Keggin/Nb/X=Si/Qmodel1 Qmodel1Segado, MireiaGaussian; 09; EM64L-G09RevD.01Single point StructureRBP86DEF2TZVP-3990.196762; Eh
Login required6-Apr-2022/5_Keggin/Nb/X=P/Qmodel1 Qmodel1Segado, MireiaGaussian; 09; EM64L-G09RevD.01Single point StructureRBP86DEF2TZVP-4041.9918524; Eh
Login required6-Apr-2022/1_Lindqvist/W/Qmodel1 Qmodel1Segado, MireiaGaussian; 09; EM64L-G09RevD.01Single point StructureRBP86DEF2TZVP-1835.1367319; Eh
Results 2911-2920 of 3041 (Search time: 0.003 seconds).