1. Institute of Chemical Research of Catalonia

Browsing by Author Besora, Maria

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Showing results 2087 to 2106 of 4310 < previous   next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg9-Nov-2018/vacuum/complexes h2oznnh3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-359.465857466; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes h2oZrCl5Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-2424.96231319; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes h2ozrome3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-468.878320578; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes h2pdhph32Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSRB3LYP6-31+g*; sdd-815.803595140; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes h2pdph3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-472.280602346; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes h2ptf5singleteBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-619.872210592; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes h2ptph3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-463.738538576; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes h2rhh2o5Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSRB3LYP6-31+g*; sdd-492.703588141; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes h2rush4Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-1691.34900609; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes h2sagnhcBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-772.450051977; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes h2salcl3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*-2022.64297411; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes h2saucl3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-1915.80368051; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes h2saucnBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-628.044307986; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes h2sauph3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSRB3LYP6-31+g*; sdd-878.127785691; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes h2sconh35Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-827.092825154; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes h2scrh2o5tripBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP6-31+g*; sdd-868.048854350; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes h2scro3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-712.092266601; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes h2scuch3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-636.665144880; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes h2scucnBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSRB3LYP6-31+g*; sdd-689.621655981; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes h2scunh33Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP6-31+g*; sdd-765.907684834; Eh
Showing results 2087 to 2106 of 4310 < previous   next >