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DOI: 10.19061/iochem-bd-6-123
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Collection's Items (Sorted by Submit Date in Descending order): 2481 to 2500 of 4613
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 10-Feb-2022 | pyrifenox_Z_CONF37_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.86252602; Eh | |||
 | 10-Feb-2022 | pyrifenox_Z_CONF38_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.86348217; Eh | |||
 | 10-Feb-2022 | pyrifenox_Z_CONF39_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.86330853; Eh | |||
 | 10-Feb-2022 | pyrifenox_Z_CONF4_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.86309816; Eh | |||
 | 10-Feb-2022 | pyrifenox_Z_CONF40_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.86125427; Eh | |||
 | 10-Feb-2022 | pyrifenox_Z_CONF41_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.86195033; Eh | |||
 | 10-Feb-2022 | pyrifenox_Z_CONF42_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.86317231; Eh | |||
 | 10-Feb-2022 | pyrifenox_Z_CONF43_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.86299368; Eh | |||
 | 10-Feb-2022 | pyrifenox_Z_CONF44_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.86348724; Eh | |||
 | 10-Feb-2022 | pyrifenox_Z_CONF5_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.86304472; Eh | |||
 | 10-Feb-2022 | pyrifenox_Z_CONF50_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.86269498; Eh | |||
 | 10-Feb-2022 | pyrifenox_Z_CONF51_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.86328743; Eh | |||
 | 10-Feb-2022 | pyrifenox_Z_CONF52_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.86320452; Eh | |||
 | 10-Feb-2022 | pyrifenox_Z_CONF54_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.86306186; Eh | |||
 | 10-Feb-2022 | pyrifenox_Z_CONF56_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.86327526; Eh | |||
 | 10-Feb-2022 | pyrifenox_Z_CONF6_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.86065919; Eh | |||
 | 10-Feb-2022 | pyrifenox_Z_CONF7_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.86335411; Eh | |||
 | 10-Feb-2022 | pyrifenox_Z_CONF8_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.86271781; Eh | |||
 | 10-Feb-2022 | pyrifenox_Z_CONF9_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.86324303; Eh | |||
 | 10-Feb-2022 | pyrifenox_Z_CONF1_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.85682298; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 2481 to 2500 of 4613
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