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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): 481 to 500 of 9778
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 22-Dec-2021 | difenoconazole_RR_CONF27_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -2044.66583300; Eh | |||
 | 22-Dec-2021 | difenoconazole_RR_CONF28_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -2044.66425416; Eh | |||
 | 22-Dec-2021 | difenoconazole_RR_CONF29_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -2044.66514875; Eh | |||
 | 22-Dec-2021 | difenoconazole_RR_CONF3_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -2044.66809545; Eh | |||
 | 22-Dec-2021 | difenoconazole_RR_CONF30_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -2044.66525277; Eh | |||
 | 22-Dec-2021 | difenoconazole_RR_CONF31_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -2044.66543398; Eh | |||
 | 22-Dec-2021 | difenoconazole_RR_CONF33_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -2044.66554237; Eh | |||
 | 22-Dec-2021 | difenoconazole_RR_CONF34_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -2044.66557559; Eh | |||
 | 22-Dec-2021 | difenoconazole_RR_CONF36_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -2044.66846731; Eh | |||
 | 22-Dec-2021 | difenoconazole_RR_CONF4_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -2044.66602569; Eh | |||
 | 22-Dec-2021 | difenoconazole_RR_CONF41_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -2044.66497516; Eh | |||
 | 22-Dec-2021 | difenoconazole_RR_CONF47_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -2044.66889276; Eh | |||
 | 22-Dec-2021 | difenoconazole_RR_CONF49_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -2044.66637661; Eh | |||
 | 22-Dec-2021 | difenoconazole_RR_CONF5_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -2044.66856306; Eh | |||
 | 22-Dec-2021 | difenoconazole_RR_CONF50_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -2044.66898587; Eh | |||
 | 22-Dec-2021 | difenoconazole_RR_CONF52_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -2044.66905001; Eh | |||
 | 22-Dec-2021 | difenoconazole_RR_CONF54_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -2044.66647269; Eh | |||
 | 22-Dec-2021 | difenoconazole_RR_CONF55_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -2044.66898657; Eh | |||
 | 22-Dec-2021 | difenoconazole_RR_CONF59_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -2044.66659790; Eh | |||
 | 22-Dec-2021 | difenoconazole_RR_CONF6_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -2044.66858212; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 481 to 500 of 9778
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