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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg5-May-2020/2Fe/E_oh_h2o_iii/HS 2Fe_Eoh-HS-b_3e-1Craig, MichaelGaussian; 09; ES64L-G09RevE.01Geometry optimization MinimumUTPSShLANL2DZ 6-31G(D) 6-31G(D,P) 6-31+G(D) GEN-1273.58231888; Eh
thumbnail.jpeg5-May-2020/1Co/E_h2o_h2o_iii 1Co_H2O-III-LSCraig, MichaelGaussian; 09; ES64L-G09RevE.01Geometry optimization MinimumUTPSShLANL2DZ 6-31G(D) 6-31G(D,P) 6-31+G(D) GEN-1064.56646958; Eh
thumbnail.jpeg5-May-2020/2Fe/E_oh_h2o_iv/HS 2FeIV_Eoh-HSCraig, MichaelGaussian; 09; ES64L-G09RevE.01Geometry optimization MinimumUTPSShLANL2DZ 6-31G(D) 6-31G(D,P) 6-31+G(D) GEN-1273.35997806; Eh
thumbnail.jpeg5-May-2020/2Fe/E_oh_h2o_iv/LS 2FeIV_Eoh-LSCraig, MichaelGaussian; 09; ES64L-G09RevE.01Geometry optimization MinimumUTPSShLANL2DZ 6-31G(D) 6-31G(D,P) 6-31+G(D) GEN-1273.37736002; Eh
thumbnail.jpeg5-May-2020/2Fe/E_oh_h2o_iii/LS 2Fe_Eoh-LSCraig, MichaelGaussian; 09; ES64L-G09RevE.01Geometry optimization MinimumUTPSShLANL2DZ 6-31G(D) 6-31G(D,P) 6-31+G(D) GEN-1273.59158977; Eh
thumbnail.jpeg5-May-2020/1Co/E_h2o_oh_iii/LS 1Co_OH-LSCraig, MichaelGaussian; 09; ES64L-G09RevE.01Geometry optimization MinimumUTPSShLANL2DZ 6-31G(D) 6-31G(D,P) 6-31+G(D) GEN-1064.11459550; Eh
thumbnail.jpeg5-May-2020/2Fe/E_o_h2o_iv/LS 2Fe_Eo-LSCraig, MichaelGaussian; 09; ES64L-G09RevE.01Geometry optimization MinimumUTPSShLANL2DZ 6-31G(D) 6-31G(D,P) 6-31+G(D) GEN-1272.94919691; Eh
thumbnail.jpeg5-May-2020/2Fe/E_o_h2o_iv/HS 2Fe_Eo-HSCraig, MichaelGaussian; 09; ES64L-G09RevE.01Geometry optimization MinimumUTPSShLANL2DZ 6-31G(D) 6-31G(D,P) 6-31+G(D) GEN-1272.93623946; Eh
thumbnail.jpeg5-May-2020/2Fe/E_o_h2o_v 2Fe_Eo5Craig, MichaelGaussian; 09; ES64L-G09RevE.01Geometry optimization MinimumUTPSShLANL2DZ 6-31G(D) 6-31G(D,P) 6-31+G(D) GEN-1272.71173817; Eh
thumbnail.jpeg5-May-2020/5Fe/E_h2o_oh_IV 5Fe_h2o_oh-IV-LSCraig, MichaelGaussian; 09; ES64L-G09RevE.01Geometry optimization MinimumUTPSShLANL2DZ 6-31G(D) 6-31G(D,P) 6-31+G(D) GEN-1191.11870836; Eh
Results 51-60 of 368 (Search time: 0.001 seconds).