Search
Add filters:
Use filters to refine the search results.
Item hits:
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
| 8-May-2017 | Ru-5-32 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complex | Improved Dimer Method | - | - | -341.61856053; eV | ||||
| 8-May-2017 | Pt-2201 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complex | Geometry optimization | - | - | -308.65032746; eV | ||||
| 22-May-2018 | /1-phenylphospholane_oxide_+_H3SiPh_in_toluene H(HO)2SiPh | Fianchini, Mauro | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RM062X | - | -673.500825054; Eh | ||||
| 22-May-2018 | /1-phenylphospholane_oxide_+_H3SiPh_in_toluene H2(HO)SiPh | Fianchini, Mauro | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RM062X | - | -598.199902372; Eh | ||||
| 22-May-2018 | /1-phenylphospholane_oxide_+_H3SiPh_in_toluene T3a_H3SiPh | Fianchini, Mauro | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RM062X | - | -1328.37449846; Eh | ||||
| 22-May-2018 | /1-phenylphospholane_oxide_+_H3SiPh_in_toluene (HO)3SiPh | Fianchini, Mauro | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RM062X | - | -748.805416614; Eh | ||||
| 9-Nov-2018 | /vacuum/complexes ofenoznch3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -496.843852509; Eh | ||||
| 22-May-2018 | /1-phenylphospholane_oxide_+_H3SiPh_in_toluene T7a_HHO2SiPh | Fianchini, Mauro | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RM062X | - | -1478.98566338; Eh | ||||
| 22-May-2018 | /1-phenylphospholane_oxide_+_H3SiPh_in_toluene I7a_HHO2SiPh | Fianchini, Mauro | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RM062X | - | -1479.01066102; Eh | ||||
| 22-May-2018 | /1-phenylphospholane_oxide_+_H3SiPh_in_toluene I6a_HHO2SiPh | Fianchini, Mauro | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RM062X | - | -1478.99983166; Eh |
Results 10391-10400 of 104079 (Search time: 0.008 seconds).
Discover
Subject
- 13599 Heterogeneous catalysis
- 12448 Adsorption
- 12178 Transition metals
- 7049 Transition states
- 4273 Supramolecular chemistry
- 4255 Nanostructures
- 4250 Electrochemical CO₂ reduction
- 4232 Conformation analysis
- 4232 N-Oxides
- 3932 Copper
- next >