Item hits:
Preview | Title | Author(s) | Program | Method(s) | Basis Set | Energy | Solv. | Vibr. |
---|---|---|---|---|---|---|---|---|
![]() | 1_prim | Miłaczewska, Anna | Gaussian; 09; ES64L-G09RevE.01 | UB3LYP | GEN | -3393.6070859; Eh | ||
![]() | TSr | Miłaczewska, Anna | Gaussian; 09; ES64L-G09RevE.01 | UB3LYP | GEN | -3393.5927499; Eh | ||
![]() | 1 | Miłaczewska, Anna | Gaussian; 09; ES64L-G09RevE.01 | UB3LYP | GEN | -3393.610892; Eh | ||
![]() | TS1 | Miłaczewska, Anna | Gaussian; 09; ES64L-G09RevE.01 | UB3LYP | GEN | -3393.5806141; Eh | ||
![]() | 2 | Miłaczewska, Anna | Gaussian; 09; ES64L-G09RevE.01 | UB3LYP | GEN | -3393.6171856; Eh | ||
![]() | TS2 | Miłaczewska, Anna | Gaussian; 09; ES64L-G09RevE.01 | UB3LYP | GEN | -3393.5924074; Eh | ||
![]() | 3 | Miłaczewska, Anna | Gaussian; 09; ES64L-G09RevE.01 | UB3LYP | GEN | -3393.6776097; Eh | ||
![]() | TS3 | Miłaczewska, Anna | Gaussian; 09; ES64L-G09RevE.01 | UB3LYP | GEN | -3393.6214609; Eh | ||
![]() | 4 | Miłaczewska, Anna | Gaussian; 09; ES64L-G09RevE.01 | UB3LYP | GEN | -3393.6859534; Eh | ||
![]() | TS2_prim | Miłaczewska, Anna | Gaussian; 09; ES64L-G09RevE.01 | UB3LYP | GEN | -3393.6338414; Eh | ||
![]() | 3_prim | Miłaczewska, Anna | Gaussian; 09; ES64L-G09RevE.01 | UB3LYP | GEN | -3393.6415607; Eh | ||
![]() | 4_prim | Miłaczewska, Anna | Gaussian; 09; ES64L-G09RevE.01 | UB3LYP | GEN | -3393.7025235; Eh | ||
![]() | TS4_prim | Miłaczewska, Anna | Gaussian; 09; ES64L-G09RevE.01 | UB3LYP | GEN | -3393.6446844; Eh | ||
![]() | 1B | Miłaczewska, Anna | Gaussian; 09; ES64L-G09RevE.01 | UB3LYP | GEN | -3393.1867338; Eh | ||
![]() | TS1B | Miłaczewska, Anna | Gaussian; 09; ES64L-G09RevE.01 | UB3LYP | GEN | -3393.1629748; Eh | ||
![]() | 2B | Miłaczewska, Anna | Gaussian; 09; ES64L-G09RevE.01 | UB3LYP | GEN | -3393.2626408; Eh | ||
![]() | 5 | Miłaczewska, Anna | Gaussian; 09; ES64L-G09RevE.01 | UB3LYP | GEN | -992.6287522; Eh | ||
![]() | TS5 | Miłaczewska, Anna | Gaussian; 09; ES64L-G09RevE.01 | UB3LYP | GEN | -992.5904823; Eh | ||
![]() | 6 | Miłaczewska, Anna | Gaussian; 09; ES64L-G09RevE.01 | UB3LYP | GEN | -992.6313176; Eh | ||
![]() | 5_prim | Miłaczewska, Anna | Gaussian; 09; ES64L-G09RevE.01 | RB3LYP | GEN | -916.1416881; Eh | ||
![]() | TS5_prim | Miłaczewska, Anna | Gaussian; 09; ES64L-G09RevE.01 | RB3LYP | GEN | -916.0999699; Eh | ||
![]() | 6_prim | Miłaczewska, Anna | Gaussian; 09; ES64L-G09RevE.01 | RB3LYP | GEN | -916.121686; Eh | ||
![]() | TS6_prim | Miłaczewska, Anna | Gaussian; 09; ES64L-G09RevE.01 | RB3LYP | GEN | -916.1158661; Eh | ||
![]() | 4B | Miłaczewska, Anna | Gaussian; 09; ES64L-G09RevE.01 | RB3LYP | GEN | -915.6783818; Eh | ||
![]() | TS4B | Miłaczewska, Anna | Gaussian; 09; ES64L-G09RevE.01 | RB3LYP | GEN | -915.6579274; Eh |
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