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PreviewTitleAuthor(s)ProgramMethod(s)Basis SetEnergySolv.Vibr.
thumbnail.jpeg/CCSD(T)_single_point_calculations cam-b3lypEscayola, SilviaGaussian; 16; ES64L-G16RevA.03RCCSD6-311+G(D,P)-18273.2873242; Eh
thumbnail.jpeg/CCSD(T)_single_point_calculations b3lypEscayola, SilviaGaussian; 16; ES64L-G16RevA.03RCCSD6-311+G(D,P)-18273.2888825; Eh
thumbnail.jpeg/CCSD(T)_single_point_calculations blypEscayola, SilviaGaussian; 16; ES64L-G16RevA.03RCCSD6-311+G(D,P)-18273.2881636; Eh
thumbnail.jpeg/CCSD(T)_single_point_calculations m06-2xEscayola, SilviaGaussian; 16; ES64L-G16RevA.03RCCSD6-311+G(D,P)-18273.287748; Eh
thumbnail.jpegt_C7Br7-_BLYPEscayola, SilviaGaussian; 16; ES64L-G16RevA.03UBLYP6-311+G(D,P)-18285.7132542; Eh
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