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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg3-Oct-2019gas_sp2_ts_pdph3_c_transBesora, MariaGaussian; 09; EM64L-G09RevA.02Single point StructureRB3LYPGEN-
thumbnail.jpeg3-Oct-2019gas_sp2_add_pdph32_c_cis_B3LYPbBesora, MariaGaussian; 09; EM64L-G09RevA.02Geometry optimization MinimumRB3LYP6-31+G(D,P) SDD GEN-3617.34987439; Eh
thumbnail.jpeg3-Oct-2019DMF_sp2_ts_pdpme3_s_transBesora, MariaGaussian; 09; EM64L-G09RevA.02Geometry optimization TSRB3LYP6-31+G(D,P) SDD GEN-3392.15736897; Eh
thumbnail.jpeg3-Oct-2019DMF_sp2_ts_pdpph32_c_transBesora, MariaGaussian; 09; EM64L-G09RevA.02Single point StructureRB3LYPGEN-
thumbnail.jpeg3-Oct-2019DMF_sp2_ts_pdpph32_s_cisBesora, MariaGaussian; 09; EM64L-G09RevA.02Single point StructureRB3LYPGEN-
thumbnail.jpeg3-Oct-2019DMF_sp2_ts_pdpme32_c_transnoulliu_calcallBesora, MariaGaussian; 09; EM64L-G09RevA.02Geometry optimization TSRB3LYP6-31+G(D,P) SDD GEN-3853.28360719; Eh
thumbnail.jpeg3-Oct-2019DMF_sp2_ts_pdpme32_c_cis6Besora, MariaGaussian; 09; EM64L-G09RevA.02Geometry optimization TSRB3LYP6-31+G(D,P) SDD GEN-3853.29214135; Eh
thumbnail.jpeg3-Oct-2019water_sp2_ts_pdpme32_c_transnoulliu_fromDMF_calcall6Besora, MariaGaussian; 09; EM64L-G09RevA.02Geometry optimization TSRB3LYP6-31+G(D,P) SDD GEN-3853.28398140; Eh
thumbnail.jpeg3-Oct-2019water_sp2_ts_pdph3_c_trans2Besora, MariaGaussian; 09; EM64L-G09RevA.02Geometry optimization TSRB3LYP6-31+G(D,P) SDD GEN-3274.17884104; Eh
thumbnail.jpeg3-Oct-2019water_sp2_ts_pdph3_s_transBesora, MariaGaussian; 09; EM64L-G09RevA.02Geometry optimization TSRB3LYP6-31+G(D,P) SDD GEN-3274.17884105; Eh
Results 21-30 of 128 (Search time: 0.001 seconds).