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Collection's Items (Sorted by Submit Date in Descending order): 2401 to 2420 of 6276
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 24-Mar-2025 | Permethrin_cis_CONF71_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1958.42099046; Eh | |||
 | 24-Mar-2025 | Permethrin_cis_CONF75_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1958.42103099; Eh | |||
 | 24-Mar-2025 | Permethrin_cis_CONF76_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1958.42093787; Eh | |||
 | 24-Mar-2025 | Permethrin_cis_CONF8_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1958.42399510; Eh | |||
 | 24-Mar-2025 | Permethrin_cis_CONF83_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1958.42081143; Eh | |||
 | 24-Mar-2025 | Permethrin_cis_CONF85_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1958.42223664; Eh | |||
 | 24-Mar-2025 | Permethrin_cis_CONF86_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1958.42234781; Eh | |||
 | 24-Mar-2025 | Permethrin_cis_CONF87_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1958.42234627; Eh | |||
 | 24-Mar-2025 | Permethrin_cis_CONF90_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1958.42241494; Eh | |||
 | 24-Mar-2025 | Permethrin_cis_CONF92_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1958.42094938; Eh | |||
 | 24-Mar-2025 | Permethrin_cis_CONF96_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1958.42179580; Eh | |||
 | 24-Mar-2025 | Permethrin_cis_CONF107_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1958.44681026; Eh | |||
 | 24-Mar-2025 | Permethrin_cis_CONF112_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1958.44228602; Eh | |||
 | 24-Mar-2025 | Permethrin_cis_CONF135_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1958.44555214; Eh | |||
 | 24-Mar-2025 | Permethrin_cis_CONF136_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1958.44758822; Eh | |||
 | 24-Mar-2025 | Permethrin_cis_CONF148_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1958.44215667; Eh | |||
 | 24-Mar-2025 | Permethrin_cis_CONF15_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1958.44689614; Eh | |||
 | 24-Mar-2025 | Permethrin_cis_CONF156_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1958.44772112; Eh | |||
 | 24-Mar-2025 | Permethrin_cis_CONF178_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1958.44733289; Eh | |||
 | 24-Mar-2025 | Permethrin_cis_CONF179_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1958.44779541; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 2401 to 2420 of 6276
