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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 30-Jun-2021 | /initial_complexes Complex_8_H | Ortuño Maqueda, Manuel Angel | Gaussian; 09; AS64L-G09RevD.01 | Geometry optimization Minimum | RM06 | SDD 6-31G(D) 6-31G(D,P) 6-31+G(D) GEN | -4038.46292786; Eh | |||
 | 30-Jun-2021 | /initial_complexes Complex_9_H2 | Ortuño Maqueda, Manuel Angel | Gaussian; 09; ES64L-G09RevD.01 | Geometry optimization Minimum | RM06 | SDD 6-31+G(D) 6-31G(D,P) GEN | -477.505498528; Eh | |||
 | 30-Jun-2021 | /initial_complexes Complex_9_H | Ortuño Maqueda, Manuel Angel | Gaussian; 09; ES64L-G09RevD.01 | Geometry optimization Minimum | RM06 | SDD 6-31+G(D) 6-31G(D,P) GEN | -477.274968941; Eh | |||
 | 30-Jun-2021 | /initial_complexes Complex_13_H2 | Ortuño Maqueda, Manuel Angel | Gaussian; 09; AS64L-G09RevD.01 | Geometry optimization Minimum | RM06 | SDD 6-31G(D) 6-31+G(D) 6-31G(D,P) GEN | -4386.57148472; Eh | |||
 | 30-Jun-2021 | /initial_complexes Complex_13_H | Ortuño Maqueda, Manuel Angel | Gaussian; 09; AS64L-G09RevD.01 | Geometry optimization Minimum | RM06 | SDD 6-31G(D) 6-31+G(D) 6-31G(D,P) GEN | -4386.12544063; Eh | |||
 | 30-Jun-2021 | /new_complexes Complex_19_H | Ortuño Maqueda, Manuel Angel | Gaussian; 09; AS64L-G09RevD.01 | Geometry optimization Minimum | RM06 | SDD 6-31G(D) 6-31+G(D) 6-31G(D,P) GEN | -4318.92451287; Eh | |||
 | 30-Jun-2021 | /new_complexes Complex_20_H2 | Ortuño Maqueda, Manuel Angel | Gaussian; 09; AS64L-G09RevD.01 | Geometry optimization Minimum | RM06 | SDD 6-31G(D) 6-31+G(D) 6-31G(D,P) GEN | -2417.76011952; Eh | |||
 | 30-Jun-2021 | /new_complexes Complex_20_H | Ortuño Maqueda, Manuel Angel | Gaussian; 09; AS64L-G09RevD.01 | Geometry optimization Minimum | RM06 | SDD 6-31G(D) 6-31+G(D) 6-31G(D,P) GEN | -2417.40520144; Eh | |||
 | 30-Jun-2021 | /solvent H2O_n=6 | Ortuño Maqueda, Manuel Angel | Gaussian; 09; AS64L-G09RevD.01 | Geometry optimization Minimum | RM06 | 6-31G(D,P) 6-31+G(D) GEN | -458.461079467; Eh | |||
 | 30-Jun-2021 | /solvent THF_n=2 | Ortuño Maqueda, Manuel Angel | Gaussian; 09; ES64L-G09RevD.01 | Geometry optimization Minimum | RM06 | 6-31G(D,P) 6-31+G(D) 6-31G(D) GEN | -464.598695721; Eh |
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