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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg8-Nov-2018/water/complexes aq-fenilincl2Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-1154.0700268; Eh
thumbnail.jpeg8-Nov-2018/water/complexes aq-fenilomealcl3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*-1969.6178746; Eh
thumbnail.jpeg8-Nov-2018/water/complexes aq-fenilomeaucl3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-1862.8152882; Eh
thumbnail.jpeg8-Nov-2018/water/complexes aq-fenilomeauph3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-825.1547602; Eh
thumbnail.jpeg8-Nov-2018/water/complexes aq-fenilomeb3lypBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*-346.2327953; Eh
thumbnail.jpeg8-Nov-2018/water/complexes aq-fenilomeconh35Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-774.6978902; Eh
thumbnail.jpeg8-Nov-2018/water/complexes aq-fenilomecro3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-659.0840344; Eh
thumbnail.jpeg8-Nov-2018/water/complexes aq-fenilomecunh33Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP6-31+g*; sdd-713.1474306; Eh
thumbnail.jpeg8-Nov-2018/water/complexes aq-fenilomefecl2sextupBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP6-31+g*; sdd-1390.6152316; Eh
thumbnail.jpeg8-Nov-2018/water/complexes aq-fenilomefeco4axialBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-923.6384336; Eh
thumbnail.jpeg8-Nov-2018/water/complexes aq-fenilomehgi2Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-522.8336316; Eh
thumbnail.jpeg8-Nov-2018/water/complexes aq-fenilomeincl2Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-1268.6033994; Eh
thumbnail.jpeg8-Nov-2018/water/complexes aq-fenilomeircoph32Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-1250.3076848; Eh
thumbnail.jpeg8-Nov-2018/water/complexes aq-fenilomekBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-374.5166749; Eh
thumbnail.jpeg8-Nov-2018/water/complexes aq-fenilomemno3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-676.1551481; Eh
thumbnail.jpeg8-Nov-2018/water/complexes aq-fenilomemosh3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-1610.8652029; Eh
thumbnail.jpeg8-Nov-2018/water/complexes aq-fenilomenbnh24Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-627.1189659; Eh
thumbnail.jpeg8-Nov-2018/water/complexes aq-fenilomeoso3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-662.3646322; Eh
thumbnail.jpeg8-Nov-2018/water/complexes aq-fenilomepdhph32Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-1161.0377374; Eh
thumbnail.jpeg8-Nov-2018/water/complexes aq-fenilomepdph3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-817.4025312; Eh