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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): 2581 to 2600 of 4613
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 10-Feb-2022 | pyrisoxazole_RS_CONF26_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1264.87074494; Eh | |||
 | 10-Feb-2022 | pyrisoxazole_RS_CONF27_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1264.87069804; Eh | |||
 | 10-Feb-2022 | pyrisoxazole_RS_CONF28_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1264.87068196; Eh | |||
 | 10-Feb-2022 | pyrisoxazole_RS_CONF29_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1264.87060985; Eh | |||
 | 10-Feb-2022 | pyrisoxazole_RS_CONF3_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1264.87067789; Eh | |||
 | 10-Feb-2022 | pyrisoxazole_RS_CONF30_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1264.87084641; Eh | |||
 | 10-Feb-2022 | pyrisoxazole_RS_CONF32_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1264.87060208; Eh | |||
 | 10-Feb-2022 | pyrisoxazole_RS_CONF33_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1264.87098280; Eh | |||
 | 10-Feb-2022 | pyrisoxazole_RS_CONF34_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1264.87096877; Eh | |||
 | 10-Feb-2022 | pyrisoxazole_RS_CONF4_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1264.86994390; Eh | |||
 | 10-Feb-2022 | pyrisoxazole_RS_CONF5_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1264.87000666; Eh | |||
 | 10-Feb-2022 | pyrisoxazole_RS_CONF6_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1264.86996765; Eh | |||
 | 10-Feb-2022 | pyrisoxazole_RS_CONF7_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1264.87060844; Eh | |||
 | 10-Feb-2022 | pyrisoxazole_RS_CONF8_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1264.86851150; Eh | |||
 | 10-Feb-2022 | pyrisoxazole_RS_CONF9_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1264.86852509; Eh | |||
 | 10-Feb-2022 | pyrisoxazole_RS_CONF1_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1264.88927453; Eh | |||
 | 10-Feb-2022 | pyrisoxazole_RS_CONF10_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1264.88882577; Eh | |||
 | 10-Feb-2022 | pyrisoxazole_RS_CONF11_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1264.88932625; Eh | |||
 | 10-Feb-2022 | pyrisoxazole_RS_CONF12_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1264.88971541; Eh | |||
 | 10-Feb-2022 | pyrisoxazole_RS_CONF13_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1264.88995189; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 2581 to 2600 of 4613
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