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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg9-Nov-2018/vacuum/complexes coircoph32Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSRB3LYP6-31+g*; sdd-1017.22792418; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes cofecl2sextupBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSUB3LYP6-31+g*; sdd-1157.41040586; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes copdph3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-584.459653992; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes cooso3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-428.729321686; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes cocro3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSRB3LYP6-31+g*; sdd-426.016527794; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes fcro3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSRB3LYP6-31+g*; sdd-412.700238953; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes comno3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSRB3LYP6-31+g*; sdd-442.911750109; Eh
thumbnail.jpeg3-Oct-2019THF_sp2_ts_pdpph3_s_cis_fromDMFbBesora, MariaGaussian; 09; EM64L-G09RevA.02Geometry optimization TSRB3LYP6-31+G(D,P) 6-31G(D) SDD GEN-3967.33105411; Eh
thumbnail.jpeg3-Oct-2019thf_ts_pdpph32_sp2_s_nou_medium_bBesora, MariaGaussian; 09; EM64L-G09RevA.02Single point Structure-6-31+G(D,P) 6-31G(D) SDD-5003.66528513; Eh
thumbnail.jpeg30-Apr-2019c2p_ClFunes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP6-311+G**-2858.5878921; Eh
Results 7421-7430 of 13266 (Search time: 0.006 seconds).