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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 5-Jul-2024 | 03_XIII_aq_2_opt_freq_spe | Artigas, Albert | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RB3LYP; RM06L | CC-PVDZ CC-PVTZ GEN | -3595.417924; Eh | |||
 | 5-Jul-2024 | 04_XIV_aq_2_opt_freq_spe | Artigas, Albert | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RB3LYP; RM06L | CC-PVDZ CC-PVTZ GEN | -3595.4321543; Eh | |||
 | 5-Jul-2024 | 02_XII_aq_2_opt_freq | Artigas, Albert | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RB3LYP | CC-PVDZ GEN | -3595.08858763; Eh | |||
 | 5-Jul-2024 | 01_XI_aq_2_opt_freq | Artigas, Albert | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RB3LYP | CC-PVDZ GEN | -3595.11324287; Eh | |||
 | 30-Jul-2024 | 06_Rh_VI_bis_opt_freq | Artigas, Albert | Gaussian; 16; ES64L-G16RevB.01 | Geometry optimization Minimum | RB3LYP | CC-PVDZ GEN | -3442.18053843; Eh | |||
 | 30-Jul-2024 | 03_VIII_opt_freq | Artigas, Albert | Gaussian; 16; ES64L-G16RevB.01 | Geometry optimization Minimum | RB3LYP | CC-PVDZ GEN | -3442.12648421; Eh | |||
 | 30-Jul-2024 | 02_VII_opt_freq | Artigas, Albert | Gaussian; 16; ES64L-G16RevB.01 | Geometry optimization Minimum | RB3LYP | CC-PVDZ GEN | -3442.18055781; Eh | |||
 | 30-Jul-2024 | 05_Rh_VI_opt_freq | Artigas, Albert | Gaussian; 16; ES64L-G16RevB.01 | Geometry optimization Minimum | RB3LYP | CC-PVDZ GEN | -3442.16500979; Eh | |||
 | 30-Jul-2024 | 04_IX_opt_freq | Artigas, Albert | Gaussian; 16; ES64L-G16RevB.01 | Geometry optimization Minimum | RB3LYP | CC-PVDZ GEN | -3442.16855801; Eh | |||
 | 30-Jul-2024 | 07_VI_opt_freq | Artigas, Albert | Gaussian; 16; ES64L-G16RevB.01 | Geometry optimization Minimum | RB3LYP | CC-PVDZ | -1185.15490964; Eh |
Results 471-480 of 481 (Search time: 0.001 seconds).