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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 23-Jun-2020 | /extendedQM H6H_ONIOM_HAT1-C6_extended | Wojdyła, Zuzanna | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | ONIOM; B3LYP; AMBER | DUMMY MIXED | -229.684588; Eh | |||
 | 23-Jun-2020 | /extendedQM H6H_ONIOM_ES_extended | Wojdyła, Zuzanna | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | ONIOM; B3LYP; AMBER | DUMMY MIXED | -235.2462781; Eh | |||
 | 23-Jun-2020 | TS4B | Miłaczewska, Anna | Gaussian; 09; ES64L-G09RevE.01 | Single point Structure | RB3LYP | GEN | -915.6579274; Eh | |||
 | 23-Jun-2020 | TS6_prim | Miłaczewska, Anna | Gaussian; 09; ES64L-G09RevE.01 | Single point Structure | RB3LYP | GEN | -916.1158661; Eh | |||
 | 23-Jun-2020 | 6_prim | Miłaczewska, Anna | Gaussian; 09; ES64L-G09RevE.01 | Single point Structure | RB3LYP | GEN | -916.121686; Eh | |||
 | 23-Jun-2020 | 4B | Miłaczewska, Anna | Gaussian; 09; ES64L-G09RevE.01 | Single point Structure | RB3LYP | GEN | -915.6783818; Eh | |||
 | 23-Jun-2020 | TS6B | Miłaczewska, Anna | Gaussian; 09; ES64L-G09RevE.01 | Single point Structure | RB3LYP | GEN | -915.6565273; Eh | |||
 | 23-Jun-2020 | TS5B | Miłaczewska, Anna | Gaussian; 09; ES64L-G09RevE.01 | Single point Structure | RB3LYP | GEN | -915.653199; Eh | |||
 | 23-Jun-2020 | 7B | Miłaczewska, Anna | Gaussian; 09; ES64L-G09RevE.01 | Single point Structure | RB3LYP | GEN | -915.6700635; Eh | |||
 | 23-Jun-2020 | 6B | Miłaczewska, Anna | Gaussian; 09; ES64L-G09RevE.01 | Single point Structure | RB3LYP | GEN | -915.6718812; Eh |
Results 11-20 of 58 (Search time: 0.0 seconds).