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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 2-Nov-2020 | /DHC CAS_DHC_TS_inv | Wojdyła, Zuzanna | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | ONIOM; B3LYP; AMBER | DUMMY MIXED | -163.8269134; Eh | |||
 | 2-Nov-2020 | /DHC CAS_DHC_P_H | Wojdyła, Zuzanna | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | ONIOM; B3LYP; AMBER | DUMMY MIXED | -30.0396036; Eh | |||
 | 2-Nov-2020 | /DGPC CAS_DGPC_P_OH | Wojdyła, Zuzanna | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | ONIOM; B3LYP; AMBER | DUMMY MIXED | -100.1907813; Eh | |||
 | 2-Nov-2020 | /DHC CAS_DHC_RI | Wojdyła, Zuzanna | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | ONIOM; B3LYP; AMBER | DUMMY MIXED | -164.7514637; Eh | |||
 | 2-Nov-2020 | /DHC CAS_DHC_S | Wojdyła, Zuzanna | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | ONIOM; B3LYP; AMBER | DUMMY MIXED | -268.1366529; Eh | |||
 | 2-Nov-2020 | /DHC CAS_DHC_RI_inv | Wojdyła, Zuzanna | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | ONIOM; B3LYP; AMBER | DUMMY MIXED | -167.2797539; Eh | |||
 | 24-Jun-2020 | thb-E-S | Sangita, Kachhap | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | ONIOM; B3LYP; AMBER | DUMMY MIXED | -250.1753418; Eh | |||
 | 24-Jun-2020 | ori-E-S | Sangita, Kachhap | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | ONIOM; B3LYP; AMBER | DUMMY MIXED | 0.419501; Eh | |||
 | 24-Jun-2020 | ori-TS1 | Sangita, Kachhap | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | ONIOM; B3LYP; AMBER | DUMMY MIXED | 5.5361815; Eh | |||
 | 24-Jun-2020 | thb-E-P | Sangita, Kachhap | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | ONIOM; B3LYP; AMBER | DUMMY MIXED | -173.7680735; Eh |
Results 31-40 of 78 (Search time: 0.001 seconds).