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Showing results 21 to 40 of 100 < previous   next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg27-Feb-2024A6diaz, alexGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRB3LYPCC-PVDZ GEN-3060.35402996; Eh
thumbnail.jpeg27-Feb-2024A7diaz, alexGaussian; 16; ES64L-G16RevA.03Single point StructureRB3LYPCC-PVDZ GEN-3060.32274784; Eh
thumbnail.jpeg27-Feb-2024A8diaz, alexGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRB3LYPCC-PVDZ GEN-3804.30985174; Eh
thumbnail.jpeg27-Feb-2024A9diaz, alexGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRB3LYPCC-PVDZ GEN-3804.32948240; Eh
thumbnail.jpeg27-Feb-2024B1diaz, alexGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRB3LYPCC-PVDZ GEN-2767.81185798; Eh
thumbnail.jpeg27-Feb-2024B2diaz, alexGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRB3LYPCC-PVDZ GEN-2767.83792773; Eh
thumbnail.jpeg27-Feb-2024B3diaz, alexGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRB3LYPCC-PVDZ GEN-2767.82902186; Eh
thumbnail.jpeg27-Feb-2024B4diaz, alexGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRB3LYPCC-PVDZ GEN-2767.85570528; Eh
thumbnail.jpeg27-Feb-2024B5diaz, alexGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRB3LYPCC-PVDZ GEN-2767.88619074; Eh
thumbnail.jpeg27-Feb-2024B6diaz, alexGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRB3LYPCC-PVDZ GEN-2767.91379696; Eh
thumbnail.jpeg27-Feb-2024C1diaz, alexGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRB3LYPCC-PVDZ GEN-2767.79457540; 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.jpeg27-Feb-2024H2diaz, alexGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRB3LYPCC-PVDZ-1.17360209844; 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.jpeg27-Feb-2024NEt3diaz, alexGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRB3LYPCC-PVDZ-292.436234429; Eh
thumbnail.jpeg27-Feb-2024PPh3diaz, alexGaussian; 16; ES64L-G16RevA.03Single point StructureRB3LYPCC-PVDZ-1036.38610875; Eh
Showing results 21 to 40 of 100 < previous   next >