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Collection's Items (Sorted by Submit Date in Descending order): 1181 to 1200 of 6276
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 24-Mar-2025 | Flucythrinate_CONF563_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1560.09028726; Eh | |||
 | 24-Mar-2025 | Flucythrinate_CONF57_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1560.09379820; Eh | |||
 | 24-Mar-2025 | Flucythrinate_CONF580_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1560.09026264; Eh | |||
 | 24-Mar-2025 | Flucythrinate_CONF6_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1560.09081959; Eh | |||
 | 24-Mar-2025 | Flucythrinate_CONF675_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1560.09157882; Eh | |||
 | 24-Mar-2025 | Flucythrinate_CONF682_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1560.09408318; Eh | |||
 | 24-Mar-2025 | Flucythrinate_CONF690_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1560.09086985; Eh | |||
 | 24-Mar-2025 | Flucythrinate_CONF757_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1560.09096889; Eh | |||
 | 24-Mar-2025 | Flucythrinate_CONF81_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1560.09183149; Eh | |||
 | 24-Mar-2025 | Flucythrinate_CONF83_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1560.09251105; Eh | |||
 | 24-Mar-2025 | Flucythrinate_CONF85_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1560.09381811; Eh | |||
 | 24-Mar-2025 | Flucythrinate_CONF867_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1560.09132378; Eh | |||
 | 24-Mar-2025 | Flucythrinate_CONF876_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1560.09143963; Eh | |||
 | 24-Mar-2025 | Flucythrinate_CONF89_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1560.09379142; Eh | |||
 | 24-Mar-2025 | Flucythrinate_CONF1_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1560.11826718; Eh | |||
 | 24-Mar-2025 | Flucythrinate_CONF102_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1560.11737277; Eh | |||
 | 24-Mar-2025 | Flucythrinate_CONF104_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1560.11728792; Eh | |||
 | 24-Mar-2025 | Flucythrinate_CONF124_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1560.12019215; Eh | |||
 | 24-Mar-2025 | Flucythrinate_CONF127_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1560.12002616; Eh | |||
 | 24-Mar-2025 | Flucythrinate_CONF145_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1560.11999914; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 1181 to 1200 of 6276
