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DOI: 10.19061/iochem-bd-6-121
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Collection's Items (Sorted by Submit Date in Descending order): 201 to 220 of 9778
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 22-Dec-2021 | bitertanol_RR_CONF7_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.77376855; Eh | |||
 | 22-Dec-2021 | bitertanol_RR_CONF72_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.77386170; Eh | |||
 | 22-Dec-2021 | bitertanol_RR_CONF74_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.77368587; Eh | |||
 | 22-Dec-2021 | bitertanol_RR_CONF8_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.77361500; Eh | |||
 | 22-Dec-2021 | bitertanol_RR_CONF83_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.77464375; Eh | |||
 | 22-Dec-2021 | bitertanol_RR_CONF84_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.77466487; Eh | |||
 | 22-Dec-2021 | bitertanol_RR_CONF85_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.77474027; Eh | |||
 | 22-Dec-2021 | bitertanol_RR_CONF86_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.77437273; Eh | |||
 | 22-Dec-2021 | bitertanol_RR_CONF87_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.77465551; Eh | |||
 | 22-Dec-2021 | bitertanol_RR_CONF88_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.77472074; Eh | |||
 | 22-Dec-2021 | bitertanol_RR_CONF89_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.77464671; Eh | |||
 | 22-Dec-2021 | bitertanol_RR_CONF9_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.77391798; Eh | |||
 | 22-Dec-2021 | bitertanol_RR_CONF90_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.77441268; Eh | |||
 | 22-Dec-2021 | bitertanol_RR_CONF91_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.77464302; Eh | |||
 | 22-Dec-2021 | bitertanol_RR_CONF92_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.77481296; Eh | |||
 | 22-Dec-2021 | bitertanol_RR_CONF93_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.77442927; Eh | |||
 | 22-Dec-2021 | bitertanol_RS_CONF1_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.75901596; Eh | |||
 | 22-Dec-2021 | bitertanol_RS_CONF10_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.75850133; Eh | |||
 | 22-Dec-2021 | bitertanol_RS_CONF11_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.75850630; Eh | |||
 | 22-Dec-2021 | bitertanol_RS_CONF12_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.75848845; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 201 to 220 of 9778
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