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Collection's Items (Sorted by Submit Date in Descending order): 2461 to 2480 of 6872
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 28-Mar-2025 | myclobutanil_CONF20_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1261.11136216; Eh | |||
 | 28-Mar-2025 | myclobutanil_CONF21_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1261.11477244; Eh | |||
 | 28-Mar-2025 | myclobutanil_CONF24_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1261.11150312; Eh | |||
 | 28-Mar-2025 | myclobutanil_CONF25_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1261.11363089; Eh | |||
 | 28-Mar-2025 | myclobutanil_CONF3_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1261.11196433; Eh | |||
 | 28-Mar-2025 | myclobutanil_CONF31_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1261.11322122; Eh | |||
 | 28-Mar-2025 | myclobutanil_CONF34_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1261.11330285; Eh | |||
 | 28-Mar-2025 | myclobutanil_CONF36_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1261.11232209; Eh | |||
 | 28-Mar-2025 | myclobutanil_CONF4_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1261.11290566; Eh | |||
 | 28-Mar-2025 | myclobutanil_CONF40_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1261.11121276; Eh | |||
 | 28-Mar-2025 | myclobutanil_CONF5_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1261.11304246; Eh | |||
 | 28-Mar-2025 | myclobutanil_CONF51_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1261.11113312; Eh | |||
 | 28-Mar-2025 | myclobutanil_CONF59_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1261.11287678; Eh | |||
 | 28-Mar-2025 | myclobutanil_CONF6_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1261.11216250; Eh | |||
 | 28-Mar-2025 | myclobutanil_CONF77_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1261.11170285; Eh | |||
 | 28-Mar-2025 | myclobutanil_CONF78_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1261.11338486; Eh | |||
 | 28-Mar-2025 | myclobutanil_CONF8_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1261.11143574; Eh | |||
 | 28-Mar-2025 | myclobutanil_CONF9_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1261.11229140; Eh | |||
 | 28-Mar-2025 | myclobutanil_CONF1_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1261.10552587; Eh | |||
 | 28-Mar-2025 | myclobutanil_CONF10_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1261.10378263; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 2461 to 2480 of 6872
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