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Showing results 1 to 20 of 46  next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg15-Dec-20212g_(from_endo)vila, jordiGaussian; 16; ES64L-G16RevA.03Single point StructureRB3LYPCC-PVTZ-1769.8159023; Eh
thumbnail.jpeg15-Dec-20212g_(from_exo)vila, jordiGaussian; 16; ES64L-G16RevA.03Single point StructureRB3LYPCC-PVTZ-1769.8159023; Eh
thumbnail.jpeg15-Dec-2021cHTvila, jordiGaussian; 16; ES64L-G16RevA.03Single point StructureRB3LYPCC-PVTZ-884.8796806; Eh
thumbnail.jpeg15-Dec-2021cHT_anion_npavila, jordiGaussian; 16; ES64L-G16RevA.03Single point StructureUB3LYPCC-PVTZ-884.9289027; Eh
thumbnail.jpeg15-Dec-2021cHT_cation_npavila, jordiGaussian; 16; ES64L-G16RevA.03Single point StructureUB3LYPCC-PVTZ-884.6521004; Eh
thumbnail.jpeg15-Dec-2021cHT_npavila, jordiGaussian; 16; ES64L-G16RevA.03Single point StructureRB3LYPCC-PVTZ-884.8796806; Eh
thumbnail.jpeg15-Dec-2021int(2Aendo)-ossvila, jordiGaussian; 16; ES64L-G16RevA.03Single point StructureUB3LYPCC-PVTZ-1769.7641779; Eh
thumbnail.jpeg15-Dec-2021int(2Aexo)-ossvila, jordiGaussian; 16; ES64L-G16RevA.03Single point StructureUB3LYPCC-PVTZ-1769.7628332; Eh
thumbnail.jpeg15-Dec-2021TS(1Aendo)vila, jordiGaussian; 16; ES64L-G16RevA.03Single point StructureRB3LYPCC-PVTZ-1769.7208415; Eh
thumbnail.jpeg15-Dec-2021TS(1Aendo)-ossvila, jordiGaussian; 16; ES64L-G16RevA.03Single point StructureUB3LYPCC-PVTZ-1769.7208415; Eh
thumbnail.jpeg15-Dec-2021TS(1Aendo)-ostvila, jordiGaussian; 16; ES64L-G16RevA.03Single point StructureUB3LYPCC-PVTZ-1769.6261746; Eh
thumbnail.jpeg15-Dec-2021TS(1Aexo)vila, jordiGaussian; 16; ES64L-G16RevA.03Single point StructureRB3LYPCC-PVTZ-1769.719221; Eh
thumbnail.jpeg15-Dec-2021TS(1Aexo)-ossvila, jordiGaussian; 16; ES64L-G16RevA.03Single point StructureUB3LYPCC-PVTZ-1769.719221; Eh
thumbnail.jpeg15-Dec-2021TS(1Aexo)-ostvila, jordiGaussian; 16; ES64L-G16RevA.03Single point Structure-CC-PVTZ-1769.60318767; Eh
thumbnail.jpeg15-Dec-2021TS(1Bendo)vila, jordiGaussian; 16; ES64L-G16RevA.03Single point StructureRB3LYPCC-PVTZ-1769.7252675; Eh
thumbnail.jpeg15-Dec-2021TS(1Bendo)-ossvila, jordiGaussian; 16; ES64L-G16RevA.03Single point StructureUB3LYPCC-PVTZ-1769.7252675; Eh
thumbnail.jpeg15-Dec-2021TS(1Bendo)-ostvila, jordiGaussian; 16; ES64L-G16RevA.03Single point StructureUB3LYPCC-PVTZ-1769.651224; Eh
thumbnail.jpeg15-Dec-2021TS(1Bexo)vila, jordiGaussian; 16; ES64L-G16RevA.03Single point StructureRB3LYPCC-PVTZ-1769.7319971; Eh
thumbnail.jpeg15-Dec-2021TS(1Bexo)-ossvila, jordiGaussian; 16; ES64L-G16RevA.03Single point StructureUB3LYPCC-PVTZ-1769.7319971; Eh
thumbnail.jpeg15-Dec-2021TS(1Bexo)-ostvila, jordiGaussian; 16; ES64L-G16RevA.03Single point StructureUB3LYPCC-PVTZ-1769.6638334; Eh