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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg11-Feb-2022TpBr3CuN_t_v2Pérez-Soto, RaúlGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUB3LYPLANL2DZ 6-31G(D,P) GEN-1886.00803414; Eh
thumbnail.jpeg11-Feb-2022TpBr3CuNH_Si_t_v4Pérez-Soto, RaúlGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUB3LYPLANL2DZ 6-31G(D,P) GEN-2487.67186850; Eh
thumbnail.jpeg11-Feb-2022TpBr3CuNH_Si_t_v5Pérez-Soto, RaúlGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUB3LYPLANL2DZ 6-31G(D,P) GEN-2487.67684814; Eh
thumbnail.jpeg11-Feb-2022TpBr3CuNH_Si_t_v6Pérez-Soto, RaúlGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUB3LYPLANL2DZ 6-31G(D,P) GEN-2487.68042228; Eh
thumbnail.jpeg11-Feb-2022TpBr3CuNH_Si_t_v1Pérez-Soto, RaúlGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUB3LYPLANL2DZ 6-31G(D,P) GEN-2487.68183374; Eh
thumbnail.jpeg11-Feb-2022TpBr3CuN_SiH_t_v2Pérez-Soto, RaúlGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUB3LYPLANL2DZ 6-31G(D,P) GEN-2487.66551060; Eh
thumbnail.jpeg11-Feb-2022TpBr3CuN_SiH_t_v1Pérez-Soto, RaúlGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUB3LYPLANL2DZ 6-31G(D,P) GEN-2487.66581063; Eh
thumbnail.jpeg11-Feb-2022TpBr3CuN_t_v1Pérez-Soto, RaúlGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUB3LYPLANL2DZ 6-31G(D,P) GEN-1886.00788815; Eh
thumbnail.jpeg11-Feb-2022step_001_tPérez-Soto, RaúlGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUB3LYPLANL2DZ 6-31G(D,P) GEN-2487.66569935; Eh
thumbnail.jpeg11-Feb-2022step_002_tPérez-Soto, RaúlGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUB3LYPLANL2DZ 6-31G(D,P) GEN-2487.66553947; Eh
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