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Collection's Items (Sorted by Submit Date in Descending order): 2061 to 2080 of 6276
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 24-Mar-2025 | Imiprothrin_RS_CONF75_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1071.51634187; Eh | |||
 | 24-Mar-2025 | Imiprothrin_RS_CONF81_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1071.51642958; Eh | |||
 | 24-Mar-2025 | Imiprothrin_RS_CONF85_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1071.51651236; Eh | |||
 | 24-Mar-2025 | Imiprothrin_RS_CONF86_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1071.51636451; Eh | |||
 | 24-Mar-2025 | Imiprothrin_RS_CONF89_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1071.51679930; Eh | |||
 | 24-Mar-2025 | Imiprothrin_RS_CONF90_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1071.51480855; Eh | |||
 | 24-Mar-2025 | Imiprothrin_RS_CONF91_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1071.51439941; Eh | |||
 | 24-Mar-2025 | Imiprothrin_RS_CONF98_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1071.51500122; Eh | |||
 | 24-Mar-2025 | Imiprothrin_RS_CONF99_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1071.51491254; Eh | |||
 | 24-Mar-2025 | Imiprothrin_RS_CONF10_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1071.54315406; Eh | |||
 | 24-Mar-2025 | Imiprothrin_RS_CONF106_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1071.54333758; Eh | |||
 | 24-Mar-2025 | Imiprothrin_RS_CONF138_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1071.54203193; Eh | |||
 | 24-Mar-2025 | Imiprothrin_RS_CONF14_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1071.54127341; Eh | |||
 | 24-Mar-2025 | Imiprothrin_RS_CONF140_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1071.54217306; Eh | |||
 | 24-Mar-2025 | Imiprothrin_RS_CONF142_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1071.54207930; Eh | |||
 | 24-Mar-2025 | Imiprothrin_RS_CONF144_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1071.54145514; Eh | |||
 | 24-Mar-2025 | Imiprothrin_RS_CONF146_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1071.54170057; Eh | |||
 | 24-Mar-2025 | Imiprothrin_RS_CONF152_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1071.54651475; Eh | |||
 | 24-Mar-2025 | Imiprothrin_RS_CONF155_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1071.54554773; Eh | |||
 | 24-Mar-2025 | Imiprothrin_RS_CONF157_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1071.54561126; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 2061 to 2080 of 6276
