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Collection's Items (Sorted by Submit Date in Descending order): 2821 to 2840 of 6276
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 24-Mar-2025 | Phenothrin_RR_CONF12_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1117.84527057; Eh | |||
 | 24-Mar-2025 | Phenothrin_RR_CONF1203_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1117.84753770; Eh | |||
 | 24-Mar-2025 | Phenothrin_RR_CONF121_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1117.84623276; Eh | |||
 | 24-Mar-2025 | Phenothrin_RR_CONF123_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1117.84578672; Eh | |||
 | 24-Mar-2025 | Phenothrin_RR_CONF124_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1117.84584980; Eh | |||
 | 24-Mar-2025 | Phenothrin_RR_CONF125_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1117.84748174; Eh | |||
 | 24-Mar-2025 | Phenothrin_RR_CONF126_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1117.84798814; Eh | |||
 | 24-Mar-2025 | Phenothrin_RR_CONF127_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1117.84812712; Eh | |||
 | 24-Mar-2025 | Phenothrin_RR_CONF128_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1117.84835529; Eh | |||
 | 24-Mar-2025 | Phenothrin_RR_CONF130_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1117.84612192; Eh | |||
 | 24-Mar-2025 | Phenothrin_RR_CONF132_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1117.84645425; Eh | |||
 | 24-Mar-2025 | Phenothrin_RR_CONF133_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1117.84651992; Eh | |||
 | 24-Mar-2025 | Phenothrin_RR_CONF135_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1117.84779461; Eh | |||
 | 24-Mar-2025 | Phenothrin_RR_CONF138_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1117.84770314; Eh | |||
 | 24-Mar-2025 | Phenothrin_RR_CONF140_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1117.84638629; Eh | |||
 | 24-Mar-2025 | Phenothrin_RR_CONF142_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1117.84754678; Eh | |||
 | 24-Mar-2025 | Phenothrin_RR_CONF15_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1117.84548000; Eh | |||
 | 24-Mar-2025 | Phenothrin_RR_CONF152_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1117.84651967; Eh | |||
 | 24-Mar-2025 | Phenothrin_RR_CONF157_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1117.84737134; Eh | |||
 | 24-Mar-2025 | Phenothrin_RR_CONF158_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1117.84652532; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 2821 to 2840 of 6276
