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Collection's Items (Sorted by Submit Date in Descending order): 2421 to 2440 of 6872
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 28-Mar-2025 | myclobutanil_CONF1_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1261.08737957; Eh | |||
 | 28-Mar-2025 | myclobutanil_CONF10_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1261.08589720; Eh | |||
 | 28-Mar-2025 | myclobutanil_CONF11_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1261.08384344; Eh | |||
 | 28-Mar-2025 | myclobutanil_CONF15_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1261.08888782; Eh | |||
 | 28-Mar-2025 | myclobutanil_CONF17_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1261.08628213; Eh | |||
 | 28-Mar-2025 | myclobutanil_CONF18_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1261.08616948; Eh | |||
 | 28-Mar-2025 | myclobutanil_CONF19_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1261.08499175; Eh | |||
 | 28-Mar-2025 | myclobutanil_CONF2_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1261.08804229; Eh | |||
 | 28-Mar-2025 | myclobutanil_CONF20_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1261.08481065; Eh | |||
 | 28-Mar-2025 | myclobutanil_CONF21_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1261.08567813; Eh | |||
 | 28-Mar-2025 | myclobutanil_CONF22_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1261.08572187; Eh | |||
 | 28-Mar-2025 | myclobutanil_CONF24_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1261.08564642; Eh | |||
 | 28-Mar-2025 | myclobutanil_CONF25_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1261.08780628; Eh | |||
 | 28-Mar-2025 | myclobutanil_CONF26_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1261.08448613; Eh | |||
 | 28-Mar-2025 | myclobutanil_CONF27_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1261.08778196; Eh | |||
 | 28-Mar-2025 | myclobutanil_CONF3_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1261.08695481; Eh | |||
 | 28-Mar-2025 | myclobutanil_CONF31_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1261.08451385; Eh | |||
 | 28-Mar-2025 | myclobutanil_CONF34_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1261.08447966; Eh | |||
 | 28-Mar-2025 | myclobutanil_CONF36_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1261.08597468; Eh | |||
 | 28-Mar-2025 | myclobutanil_CONF37_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1261.08488311; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 2421 to 2440 of 6872
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