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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 3-May-2019 | bp86-Mn-12-doublewater | Craig, Michael | Gaussian; 09; ES64L-G09RevE.01 | Geometry optimization Minimum | UBP86 | lanl2dz; 6-31g(d); 6-31g(d,p); 6-31+g(d) | -1996.15384402; Eh | |||
 | 3-May-2019 | bp86-Mn-12-doublewaterminuselectron | Craig, Michael | Gaussian; 09; ES64L-G09RevE.01 | Geometry optimization Minimum | UBP86 | lanl2dz; 6-31g(d); 6-31g(d,p); 6-31+g(d) | -1995.96936275; Eh | |||
 | 3-May-2019 | bp86-Co-16-H2O-II | Craig, Michael | Gaussian; 09; ES64L-G09RevE.01 | Geometry optimization Minimum | UBP86 | lanl2dz; 6-31g(d); 6-31g(d,p); 6-31+g(d) | -1765.76085449; Eh | |||
 | 3-May-2019 | bp86-Ru-2-H2O-III | Craig, Michael | Gaussian; 09; ES64L-G09RevE.01 | Geometry optimization Minimum | UBP86 | lanl2dz; 6-31g(d); 6-31g(d,p); 6-31+g(d) | -1877.69144733; Eh | |||
 | 3-May-2019 | bp86-Ru-9-OOH | Craig, Michael | Gaussian; 09; ES64L-G09RevE.01 | Geometry optimization Minimum | UBP86 | lanl2dz; 6-31g(d); 6-31g(d,p); 6-31+g(d) | -2059.15398479; Eh |
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