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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
18-Feb-2021 | /Dibutylether Py_Add_Prod | Garay Ruiz, Diego | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RwB97XD | 6-311G(D,P) | -670.499324528; Eh | ||||
18-Feb-2021 | /Dichloromethane Reactive_Complex | Garay Ruiz, Diego | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RwB97XD | 6-311G(D,P) | -670.404281169; Eh | ||||
18-Feb-2021 | /Dichloromethane CO2 | Garay Ruiz, Diego | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RwB97XD | 6-311G(D,P) | -188.575993637; Eh | ||||
18-Feb-2021 | /Dichloromethane Py_Add_Prod | Garay Ruiz, Diego | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RwB97XD | 6-311G(D,P) | -670.504605481; Eh | ||||
18-Feb-2021 | /Dichloromethane Peroxyformate | Garay Ruiz, Diego | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RwB97XD | 6-311G(D,P) | -422.135180406; Eh | ||||
18-Feb-2021 | /DiMethylSulfoxide Py | Garay Ruiz, Diego | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RwB97XD | 6-311G(D,P) | -248.260231976; Eh | ||||
18-Feb-2021 | /DiMethylSulfoxide Py_Add_Prod | Garay Ruiz, Diego | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RwB97XD | 6-311G(D,P) | -670.501385553; Eh | ||||
18-Feb-2021 | /DiMethylSulfoxide tBuOH | Garay Ruiz, Diego | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RwB97XD | 6-311G(D,P) | -233.677246055; Eh | ||||
18-Feb-2021 | /DiMethylSulfoxide Peroxyformate | Garay Ruiz, Diego | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RwB97XD | 6-311G(D,P) | -422.137522605; Eh | ||||
18-Feb-2021 | /Ethanol Py | Garay Ruiz, Diego | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RwB97XD | 6-311G(D,P) | -248.261679022; Eh |
Results 31-40 of 216 (Search time: 0.001 seconds).
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Subject
- 216 carbonate decomposition
- 216 DFT
- 216 implicit solvent
- 216 organocatalysis
- 216 peroxide decomposition
- 216 peroxyformate
Program name
- 216 Gaussian
Method
- 216 RwB97XD