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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): 2601 to 2620 of 4613
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 10-Feb-2022 | pyrisoxazole_RS_CONF14_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1264.89221074; Eh | |||
 | 10-Feb-2022 | pyrisoxazole_RS_CONF17_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1264.89073567; Eh | |||
 | 10-Feb-2022 | pyrisoxazole_RS_CONF18_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1264.89077065; Eh | |||
 | 10-Feb-2022 | pyrisoxazole_RS_CONF19_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1264.89077356; Eh | |||
 | 10-Feb-2022 | pyrisoxazole_RS_CONF2_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1264.88960448; Eh | |||
 | 10-Feb-2022 | pyrisoxazole_RS_CONF20_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1264.89068075; Eh | |||
 | 10-Feb-2022 | pyrisoxazole_RS_CONF21_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1264.89066753; Eh | |||
 | 10-Feb-2022 | pyrisoxazole_RS_CONF22_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1264.89108358; Eh | |||
 | 10-Feb-2022 | pyrisoxazole_RS_CONF23_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1264.89091500; Eh | |||
 | 10-Feb-2022 | pyrisoxazole_RS_CONF24_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1264.89061985; Eh | |||
 | 10-Feb-2022 | pyrisoxazole_RS_CONF25_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1264.89106209; Eh | |||
 | 10-Feb-2022 | pyrisoxazole_RS_CONF26_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1264.89079807; Eh | |||
 | 10-Feb-2022 | pyrisoxazole_RS_CONF27_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1264.89080848; Eh | |||
 | 10-Feb-2022 | pyrisoxazole_RS_CONF28_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1264.89079227; Eh | |||
 | 10-Feb-2022 | pyrisoxazole_RS_CONF3_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1264.88924286; Eh | |||
 | 10-Feb-2022 | pyrisoxazole_RS_CONF30_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1264.89077986; Eh | |||
 | 10-Feb-2022 | pyrisoxazole_RS_CONF31_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1264.89067619; Eh | |||
 | 10-Feb-2022 | pyrisoxazole_RS_CONF32_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1264.89052538; Eh | |||
 | 10-Feb-2022 | pyrisoxazole_RS_CONF4_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1264.88991633; Eh | |||
 | 10-Feb-2022 | pyrisoxazole_RS_CONF5_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1264.88984653; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 2601 to 2620 of 4613
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