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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg22-Sep-2023Methomyl_CONF5_octanolPulgar Rubio, AntonioGaussian; 16; EM64L-G16RevC.01Geometry optimization MinimumRB3LYP; TD-FC6-311+G(D,P) 6-311+G(3DF,2P)-854.8935457; Eh
thumbnail.jpeg22-Sep-2023Methomyl_CONF4_waterPulgar Rubio, AntonioGaussian; 16; EM64L-G16RevC.01Geometry optimization MinimumRB3LYP; TD-FC6-311+G(D,P) 6-311+G(3DF,2P)-854.8924588; Eh
thumbnail.jpeg22-Sep-2023Methomyl_CONF5_waterPulgar Rubio, AntonioGaussian; 16; EM64L-G16RevC.01Geometry optimization MinimumRB3LYP; TD-FC6-311+G(D,P) 6-311+G(3DF,2P)-854.8933538; Eh
thumbnail.jpeg22-Sep-2023Methomyl_CONF1_waterPulgar Rubio, AntonioGaussian; 16; EM64L-G16RevC.01Geometry optimization MinimumRB3LYP; TD-FC6-311+G(D,P) 6-311+G(3DF,2P)-854.8946684; Eh
thumbnail.jpeg22-Sep-2023Methomyl_CONF2_waterPulgar Rubio, AntonioGaussian; 16; EM64L-G16RevC.01Geometry optimization MinimumRB3LYP; TD-FC6-311+G(D,P) 6-311+G(3DF,2P)-854.895574; Eh
thumbnail.jpeg22-Sep-2023Methomyl_Z_CONF2_octanolPulgar Rubio, AntonioGaussian; 16; EM64L-G16RevC.01Geometry optimization MinimumRB3LYP; TD-FC6-311+G(D,P) 6-311+G(3DF,2P)-854.8951978; Eh
thumbnail.jpeg22-Sep-2023Methomyl_Z_CONF4_octanolPulgar Rubio, AntonioGaussian; 16; EM64L-G16RevC.01Geometry optimization MinimumRB3LYP; TD-FC6-311+G(D,P) 6-311+G(3DF,2P)-854.8932149; Eh
thumbnail.jpeg22-Sep-2023Methomyl_Z_CONF2_waterPulgar Rubio, AntonioGaussian; 16; EM64L-G16RevC.01Geometry optimization MinimumRB3LYP; TD-FC6-311+G(D,P) 6-311+G(3DF,2P)-854.8955253; Eh
thumbnail.jpeg22-Sep-2023Methomyl_Z_CONF4_waterPulgar Rubio, AntonioGaussian; 16; EM64L-G16RevC.01Geometry optimization MinimumRB3LYP; TD-FC6-311+G(D,P) 6-311+G(3DF,2P)-854.8940896; Eh
thumbnail.jpeg22-Sep-2023Methomyl_Z_CONF5_waterPulgar Rubio, AntonioGaussian; 16; EM64L-G16RevC.01Geometry optimization MinimumRB3LYP; TD-FC6-311+G(D,P) 6-311+G(3DF,2P)-854.894981; Eh
Results 14671-14680 of 14818 (Search time: 0.014 seconds).