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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg3-Oct-2019water_sp2_ts_pdpf3_s_transBesora, MariaGaussian; 09; EM64L-G09RevA.02Geometry optimization TSRB3LYP6-31+G(D,P) SDD GEN-3572.02205424; Eh
thumbnail.jpeg3-Oct-2019gas_sp2_ts_pdpme32_c_transnoulliu_fromDMFBesora, MariaGaussian; 09; EM64L-G09RevA.02Geometry optimization TSRB3LYP6-31+G(D,P) SDD GEN-3853.27426381; Eh
thumbnail.jpeg3-Oct-2019gas_sp2_ts_pdpme32_s_cisBesora, MariaGaussian; 09; EM64L-G09RevA.02Geometry optimization TSRB3LYP6-31+G(D,P) SDD GEN-3853.27411473; Eh
thumbnail.jpeg3-Oct-2019gas_sp2_ts_pdpme3_s_transBesora, MariaGaussian; 09; EM64L-G09RevA.02Geometry optimization TSRB3LYP6-31+G(D,P) SDD GEN-3392.14847801; Eh
thumbnail.jpeg3-Oct-2019gas_sp2_ts_pdpme3_c_trans2Besora, MariaGaussian; 09; EM64L-G09RevA.02Single point StructureRB3LYPGEN-
thumbnail.jpeg3-Oct-2019gas_sp2_ts_pdpme3_c_transBesora, MariaGaussian; 09; EM64L-G09RevA.02Single point StructureRB3LYPGEN-
thumbnail.jpeg3-Oct-2019gas_sp2_ts_pdpme32_c_transnoulliu_fromDMFcalcfcBesora, MariaGaussian; 09; EM64L-G09RevA.02Geometry optimization TSRB3LYP6-31+G(D,P) SDD GEN-3853.27403078; Eh
thumbnail.jpeg3-Oct-2019gas_sp2_ts_pdpph3_s_transBesora, MariaGaussian; 09; EM64L-G09RevA.02Geometry optimization TSRB3LYP6-31+G(D,P) 6-31G(D) SDD GEN-3967.32119107; Eh
thumbnail.jpeg3-Oct-2019gas_sp2_ts_pdpme3_s_cisBesora, MariaGaussian; 09; EM64L-G09RevA.02Geometry optimization TSRB3LYP6-31+G(D,P) SDD GEN-3392.14847803; Eh
thumbnail.jpeg3-Oct-2019gas_sp2_ts_pdpph3_c_cis2Besora, MariaGaussian; 09; EM64L-G09RevA.02Single point StructureRB3LYPGEN-
Results 11-20 of 128 (Search time: 0.001 seconds).