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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg9-Nov-2018/water//water complexes aq-coircoph32Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-1017.3087865; Eh
thumbnail.jpeg9-Nov-2018/water//water complexes aq-fcunh33Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP6-31+g*; sdd-466.8584008; Eh
thumbnail.jpeg9-Nov-2018/water//water complexes aq-coptf5singleteBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-732.1533118; Eh
thumbnail.jpeg9-Nov-2018/water//water complexes aq-coauph3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-592.1412626; Eh
thumbnail.jpeg9-Nov-2018/water//water complexes aq-copdhph32Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-928.0523335; Eh
thumbnail.jpeg9-Nov-2018/water//water complexes aq-fauph3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-578.838053; Eh
thumbnail.jpeg9-Nov-2018/water//water complexes aq-coticl3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-1552.2555809; Eh
thumbnail.jpeg9-Nov-2018/water//water complexes aq-comno3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-443.0140239; Eh
thumbnail.jpeg9-Nov-2018/noDisp/complexes sin-ifecl3-Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP6-31+g*; sdd-1516.2349783; Eh
thumbnail.jpeg9-Nov-2018/water//water complexes aq-cltame4piramBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-676.9413816; Eh
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