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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg15-Dec-2021cHT_anion_npavila, jordiGaussian; 16; ES64L-G16RevA.03Single point StructureUB3LYPCC-PVTZ-884.9289027; Eh
thumbnail.jpeg15-Dec-2021TS(1Aexo)-ossvila, jordiGaussian; 16; ES64L-G16RevA.03Single point StructureUB3LYPCC-PVTZ-1769.719221; Eh
thumbnail.jpeg15-Dec-2021TS(2Aexo)-ossvila, jordiGaussian; 16; ES64L-G16RevA.03Single point StructureUB3LYPCC-PVTZ-1769.7444624; 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(int2Aexo)-ossvila, jordiGaussian; 16; ES64L-G16RevA.03Single point StructureUB3LYPCC-PVTZ-1769.7513352; Eh
thumbnail.jpeg15-Dec-2021TS(int2Aendo)-ossvila, jordiGaussian; 16; ES64L-G16RevA.03Single point StructureUB3LYPCC-PVTZ-1769.754274; Eh
thumbnail.jpeg15-Dec-2021cHT_cation_npavila, jordiGaussian; 16; ES64L-G16RevA.03Single point StructureUB3LYPCC-PVTZ-884.6521004; Eh
thumbnail.jpeg15-Dec-2021TS(2Aendo)-ossvila, jordiGaussian; 16; ES64L-G16RevA.03Single point StructureUB3LYPCC-PVTZ-1769.7470365; Eh
thumbnail.jpeg15-Dec-2021TS(3Aexo)-ossvila, jordiGaussian; 16; ES64L-G16RevA.03Single point StructureUB3LYPCC-PVTZ-1769.7407818; Eh
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