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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
| 22-May-2018 | /1-phenylphospholane_oxide_+_H3SiPh_in_toluene T1f_H3SiPh | Fianchini, Mauro | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | RM062X | - | -1328.37030007; Eh | ||||
| 22-May-2018 | /1-phenylphospholane_oxide_+_H3SiPh_in_toluene T1e_H3SiPh | Fianchini, Mauro | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | RM062X | - | -1328.37450409; Eh | ||||
| 22-May-2018 | /1-phenylphospholane_oxide_+_Theosilane_in_THF Theosilanol | Fianchini, Mauro | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RM062X | - | -826.183638087; Eh | ||||
| 22-May-2018 | /1-phenylphospholane_oxide_+_H3SiPh_in_toluene T6a_H2HOSiPh | Fianchini, Mauro | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RM062X | - | -1403.67680166; Eh | ||||
| 22-May-2018 | /1-phenylphospholane_oxide_+_H3SiPh_in_toluene T4a_H2HOSiPh | Fianchini, Mauro | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | RM062X | - | -1403.67988937; Eh | ||||
| 22-May-2018 | /1-phenylphospholane_oxide_+_H3SiPh_in_toluene T1d_H3SiPh | Fianchini, Mauro | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | RM062X | - | -1328.37481881; Eh | ||||
| 22-May-2018 | /1-phenylphospholane_oxide_+_H3SiPh_in_toluene T1c_H3SiPh | Fianchini, Mauro | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | RM062X | - | -1328.37452428; Eh | ||||
| 22-May-2018 | /1-phenylphospholane_oxide_+_H3SiPh_in_toluene T1b_H3SiPh | Fianchini, Mauro | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | RM062X | - | -1328.37987437; Eh | ||||
| 9-Nov-2018 | /vacuum/complexes ofenowco5 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -863.944734215; Eh | ||||
| 19-May-2016 | AgOx_Ag(111)-ts3 | García, Rodrigo | vasp; 5.3.5; 31Mar14 (build May 07 2014 16:01:45) complex | Geometry optimization | - | - | -193.89510415; eV |
Results 10521-10530 of 104079 (Search time: 0.009 seconds).
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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
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