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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 16-Mar-2021 | 1tsI_cS_SVP | Schön, Florian | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RTPSSh | DEF2SVP | - | |||
 | 16-Mar-2021 | 1intII_cS_SVP | Schön, Florian | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RTPSSh | DEF2SVP | - | |||
 | 16-Mar-2021 | N1+_cS_SVP | Schön, Florian | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | RTPSSh | DEF2SVP | - | |||
 | 3-May-2019 | tpssh-Co-16-OH-III-freq | Craig, Michael | Gaussian; 09; ES64L-G09RevE.01 | Single point Structure | RTPSSh | lanl2dz; 6-31g(d); 6-31g(d,p); 6-31+g(d) | -1765.12275708; Eh | |||
 | 3-May-2019 | Co-16-OH-freq | Craig, Michael | Gaussian; 09; ES64L-G09RevE.01 | Single point Structure | RTPSSh | lanl2dz; 6-31g(d); 6-31g(d,p); 6-31+g(d) | -1765.12275708; Eh | |||
 | 3-May-2019 | tpssh-Ru-2-H2O-II-freq | Craig, Michael | Gaussian; 09; ES64L-G09RevE.01 | Single point Structure | RTPSSh | lanl2dz; 6-31g(d); 6-31g(d,p); 6-31+g(d) | -1877.84137545; Eh | |||
 | 3-May-2019 | Co-16-OOH-freq | Craig, Michael | Gaussian; 09; ES64L-G09RevE.01 | Single point Structure | RTPSSh | lanl2dz; 6-31g(d); 6-31g(d,p); 6-31+g(d) | -1840.26157846; Eh | |||
 | 3-May-2019 | Cu-15-OH-freq | Craig, Michael | Gaussian; 09; ES64L-G09RevE.01 | Single point Structure | RTPSSh | lanl2dz; 6-31g(d); 6-31g(d,p); 6-31+g(d) | -1429.33974887; Eh | |||
 | 3-May-2019 | Cu-15-OOH-freq | Craig, Michael | Gaussian; 09; ES64L-G09RevE.01 | Single point Structure | RTPSSh | lanl2dz; 6-31g(d); 6-31g(d,p); 6-31+g(d) | -1504.48770743; Eh | |||
 | 3-May-2019 | Ru-6-VAC-freq | Craig, Michael | Gaussian; 09; ES64L-G09RevE.01 | Single point Structure | RTPSSh | lanl2dz; 6-31g(d); 6-31g(d,p); 6-31+g(d) | -1363.78727790; Eh |
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