1. Institute of Chemical Research of Catalonia

Browsing by Subject Dimerization

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Showing results 1 to 20 of 430  next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg28-Aug-2024AFc120cn_2c_kcn4_scan1561García-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31G(D) LANL2DZ GENECP-5056.77210849; Eh
thumbnail.jpeg28-Aug-2024AFc120cn_2c_kcn4_scan6190García-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31G(D) LANL2DZ GENECP-5056.77544513; Eh
thumbnail.jpeg28-Aug-2024AFc60_squash_nrsGarcía-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31G(D) GEN-2286.17354665; Eh
thumbnail.jpeg28-Aug-2024AFkcn_4_nostrainGarcía-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31G(D) LANL2DZ GENECP-484.266373202; Eh
thumbnail.jpeg28-Aug-2024AFmin_doublescanAGarcía-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31G(D) LANL2DZ GENECP-5056.78621928; Eh
thumbnail.jpeg28-Aug-2024AFmin_doublescanBGarcía-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31G(D) LANL2DZ GENECP-5056.78800493; Eh
thumbnail.jpeg28-Aug-2024AFmin_innerscan5584García-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31G(D) LANL2DZ GENECP-5056.78823042; Eh
thumbnail.jpeg28-Aug-2024AFmin_orthoscan63108García-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31G(D) LANL2DZ GENECP-5056.76182030; Eh
thumbnail.jpeg28-Aug-2024AFmin_outererscan3671García-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31G(D) LANL2DZ GENECP-5056.77261811; Eh
thumbnail.jpeg28-Aug-2024AFmin_outerscan28102García-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31G(D) LANL2DZ GENECP-5056.76754481; Eh
thumbnail.jpeg28-Aug-2024AFts_orthoscan63108García-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31G(D) LANL2DZ GENECP-5056.74691070; Eh
thumbnail.jpeg28-Aug-2024AFts_orthoscan63108_1García-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB3LYP6-31G(D) LANL2DZ GENECP-5056.76996365; Eh
thumbnail.jpeg28-Aug-2024AFts_orthoscan63108_10García-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB3LYP6-31G(D) LANL2DZ GENECP-5056.75437083; Eh
thumbnail.jpeg28-Aug-2024AFts_orthoscan63108_11García-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB3LYP6-31G(D) LANL2DZ GENECP-5056.75081050; Eh
thumbnail.jpeg28-Aug-2024AFts_orthoscan63108_12García-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB3LYP6-31G(D) LANL2DZ GENECP-5056.74690882; Eh
thumbnail.jpeg28-Aug-2024AFts_orthoscan63108_2García-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB3LYP6-31G(D) LANL2DZ GENECP-5056.76976653; Eh
thumbnail.jpeg28-Aug-2024AFts_orthoscan63108_3García-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB3LYP6-31G(D) LANL2DZ GENECP-5056.76917150; Eh
thumbnail.jpeg28-Aug-2024AFts_orthoscan63108_4García-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB3LYP6-31G(D) LANL2DZ GENECP-5056.76818434; Eh
thumbnail.jpeg28-Aug-2024AFts_orthoscan63108_5García-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB3LYP6-31G(D) LANL2DZ GENECP-5056.76681157; Eh
thumbnail.jpeg28-Aug-2024AFts_orthoscan63108_6García-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB3LYP6-31G(D) LANL2DZ GENECP-5056.76505943; Eh
Showing results 1 to 20 of 430  next >