Browsing by Author Mudarra, Ángel Luís
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| Preview | Title | Author(s) | Program | Method(s) | Basis Set | Energy | Solv. | Vibr. |
|---|---|---|---|---|---|---|---|---|
 | /Hydrogen_substituent_(R=H) 3I0ad-H | Mudarra, Ángel Luís | Gaussian; 09; EM64L-G09RevD.01 | UB3LYP | LANL2DZ; 6-31G(d) | -2194.42346857; Eh | ||
 | /Hydrogen_substituent_(R=H) 3I1-H | Mudarra, Ángel Luís | Gaussian; 09; EM64L-G09RevD.01 | UB3LYP | LANL2DZ; 6-31G(d) | -2194.48580334; Eh | ||
 | /Hydrogen_substituent_(R=H) 3I8-H | Mudarra, Ángel Luís | Gaussian; 09; EM64L-G09RevD.01 | UB3LYP | LANL2DZ; 6-31G(d) | -2194.49637548; Eh | ||
 | /Hydrogen_substituent_(R=H) I10-H | Mudarra, Ángel Luís | Gaussian; 09; EM64L-G09RevD.01 | RB3LYP | LANL2DZ; 6-31G(d) | -2194.50962439; Eh | ||
 | /Hydrogen_substituent_(R=H) I11-H | Mudarra, Ángel Luís | Gaussian; 09; EM64L-G09RevD.01 | RB3LYP | LANL2DZ; 6-31G(d) | -2194.52668736; Eh | ||
 | /Hydrogen_substituent_(R=H) I12-H | Mudarra, Ángel Luís | Gaussian; 09; EM64L-G09RevD.01 | RB3LYP | LANL2DZ; 6-31G(d) | -2194.57526589; Eh | ||
 | /Hydrogen_substituent_(R=H) I2-H | Mudarra, Ángel Luís | Gaussian; 09; EM64L-G09RevD.01 | RB3LYP | LANL2DZ; 6-31G(d) | -2194.49337919; Eh | ||
 | /Hydrogen_substituent_(R=H) I3-2-H | Mudarra, Ángel Luís | Gaussian; 09; EM64L-G09RevD.01 | RB3LYP | LANL2DZ; 6-31G(d) | -2194.48044599; Eh | ||
 | /Hydrogen_substituent_(R=H) I3-H | Mudarra, Ángel Luís | Gaussian; 09; EM64L-G09RevD.01 | RB3LYP | LANL2DZ; 6-31G(d) | -2194.48563438; Eh | ||
 | /Hydrogen_substituent_(R=H) I4-H | Mudarra, Ángel Luís | Gaussian; 09; EM64L-G09RevD.01 | RB3LYP | LANL2DZ; 6-31G(d) | -2194.48120589; Eh | ||
 | /Hydrogen_substituent_(R=H) I5-H | Mudarra, Ángel Luís | Gaussian; 09; EM64L-G09RevD.01 | RB3LYP | LANL2DZ; 6-31G(d) | -2194.48386748; Eh | ||
 | /Hydrogen_substituent_(R=H) I6-H | Mudarra, Ángel Luís | Gaussian; 09; EM64L-G09RevD.01 | RB3LYP | LANL2DZ; 6-31G(d) | -2194.52151746; Eh | ||
 | /Hydrogen_substituent_(R=H) I7-H | Mudarra, Ángel Luís | Gaussian; 09; EM64L-G09RevD.01 | RB3LYP | LANL2DZ; 6-31G(d) | -2194.52685376; Eh | ||
 | /Hydrogen_substituent_(R=H) I9-H | Mudarra, Ángel Luís | Gaussian; 09; EM64L-G09RevD.01 | RB3LYP | LANL2DZ; 6-31G(d) | -2194.49814213; Eh | ||
 | /Hydrogen_substituent_(R=H) TS0-H | Mudarra, Ángel Luís | Gaussian; 09; EM64L-G09RevD.01 | UB3LYP | LANL2DZ; 6-31G(d) | -2194.42329742; Eh | ||
 | /Hydrogen_substituent_(R=H) TS1-H | Mudarra, Ángel Luís | Gaussian; 09; EM64L-G09RevD.01 | UB3LYP | LANL2DZ; 6-31G(d) | -2194.48395042; Eh | ||
 | /Hydrogen_substituent_(R=H) TS2-H | Mudarra, Ángel Luís | Gaussian; 09; EM64L-G09RevD.01 | RB3LYP | LANL2DZ; 6-31G(d) | -2194.47621540; Eh | ||
 | /Hydrogen_substituent_(R=H) TS3-H | Mudarra, Ángel Luís | Gaussian; 09; EM64L-G09RevD.01 | RB3LYP | LANL2DZ; 6-31G(d) | -2194.47820123; Eh | ||
 | /Hydrogen_substituent_(R=H) TS4-H | Mudarra, Ángel Luís | Gaussian; 09; EM64L-G09RevD.01 | RB3LYP | LANL2DZ; 6-31G(d) | -2194.48218140; Eh | ||
 | /Hydrogen_substituent_(R=H) TS5-H | Mudarra, Ángel Luís | Gaussian; 09; EM64L-G09RevD.01 | RB3LYP | LANL2DZ; 6-31G(d) | -2194.48275227; Eh |