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Collection's Items (Sorted by Submit Date in Descending order): 1541 to 1560 of 6872
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 28-Mar-2025 | imazalil_CONF23_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1647.09731026; Eh | |||
 | 28-Mar-2025 | imazalil_CONF29_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1647.09656053; Eh | |||
 | 28-Mar-2025 | imazalil_CONF3_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1647.09576956; Eh | |||
 | 28-Mar-2025 | imazalil_CONF31_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1647.09654304; Eh | |||
 | 28-Mar-2025 | imazalil_CONF32_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1647.09685753; Eh | |||
 | 28-Mar-2025 | imazalil_CONF33_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1647.09645552; Eh | |||
 | 28-Mar-2025 | imazalil_CONF35_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1647.09504838; Eh | |||
 | 28-Mar-2025 | imazalil_CONF37_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1647.09577705; Eh | |||
 | 28-Mar-2025 | imazalil_CONF39_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1647.09486206; Eh | |||
 | 28-Mar-2025 | imazalil_CONF4_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1647.09699202; Eh | |||
 | 28-Mar-2025 | imazalil_CONF40_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1647.09582773; Eh | |||
 | 28-Mar-2025 | imazalil_CONF44_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1647.09532329; Eh | |||
 | 28-Mar-2025 | imazalil_CONF47_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1647.09444363; Eh | |||
 | 28-Mar-2025 | imazalil_CONF5_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1647.09729969; Eh | |||
 | 28-Mar-2025 | imazalil_CONF50_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1647.09655476; Eh | |||
 | 28-Mar-2025 | imazalil_CONF52_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1647.09462152; Eh | |||
 | 28-Mar-2025 | imazalil_CONF53_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1647.09570963; Eh | |||
 | 28-Mar-2025 | imazalil_CONF58_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1647.09443807; Eh | |||
 | 28-Mar-2025 | imazalil_CONF59_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1647.09586392; Eh | |||
 | 28-Mar-2025 | imazalil_CONF63_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1647.09516858; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 1541 to 1560 of 6872
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