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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 30-Jun-2021 | /new_complexes Complex_21_H | Ortuño Maqueda, Manuel Angel | Gaussian; 09; AS64L-G09RevD.01 | Geometry optimization Minimum | RM06 | SDD 6-31G(D) 6-31G(D,P) GEN | -3602.32579933; Eh | |||
 | 30-Jun-2021 | /solvent THF_n=3_stacked | Ortuño Maqueda, Manuel Angel | Gaussian; 09; AS64L-G09RevD.01 | Geometry optimization Minimum | RM06 | 6-31G(D,P) 6-31+G(D) 6-31G(D) GEN | -696.901712351; Eh | |||
 | 30-Jun-2021 | /solvent THFH+_n=2 | Ortuño Maqueda, Manuel Angel | Gaussian; 09; AS64L-G09RevD.01 | Geometry optimization Minimum | RM06 | 6-31G(D,P) 6-31+G(D) 6-31G(D) GEN | -464.968818287; 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_10_H2 | Ortuño Maqueda, Manuel Angel | Gaussian; 09; AM64L-G09RevC.01 | Single point Structure | RM06 | SDD 6-31G(D) 6-31G(D,P) GEN | -374.064369014; Eh | |||
 | 30-Jun-2021 | /new_complexes Complex_19_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 | -4319.27835680; 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_18_H | Ortuño Maqueda, Manuel Angel | Gaussian; 09; AS64L-G09RevD.01 | Geometry optimization Minimum | RM06 | SDD 6-31G(D) 6-31G(D,P) GEN | -1623.34419957; Eh |
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