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. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 3-Oct-2019 | thf_sp2_ts_pdpme32_c_transnoulliu_fromDMFcalcall15 | Besora, Maria | Gaussian; 09; EM64L-G09RevA.02 | Single point Structure | - | 6-31+G(D,P) SDD | -3853.28747319; Eh | |||
 | 3-Oct-2019 | thf_sp2_ts_pdpme32_c_transnoulliu_fromDMFcalcall18 | Besora, Maria | Gaussian; 09; EM64L-G09RevA.02 | Single point Structure | - | 6-31+G(D,P) SDD | -3853.28747046; Eh | |||
 | 3-Oct-2019 | thf_sp2_ts_pdpme32_c_transnoulliu_fromDMFcalcall16 | Besora, Maria | Gaussian; 09; EM64L-G09RevA.02 | Single point Structure | - | 6-31+G(D,P) SDD | -3853.28189330; Eh | |||
 | 3-Oct-2019 | thf_sp2_ts_pdpme32_c_transnoulliu_fromDMFcalcall12 | Besora, Maria | Gaussian; 09; EM64L-G09RevA.02 | Single point Structure | - | 6-31+G(D,P) SDD | -3853.28093302; Eh | |||
 | 3-Oct-2019 | thf_sp2_ts_pdpme32_c_transnoulliu_fromDMFcalcall14 | Besora, Maria | Gaussian; 09; EM64L-G09RevA.02 | Single point Structure | - | 6-31+G(D,P) SDD | -3853.28747319; Eh | |||
 | 3-Oct-2019 | thf_sp2_ts_pdpme32_c_transnoulliu_fromDMFcalcall13 | Besora, Maria | Gaussian; 09; EM64L-G09RevA.02 | Single point Structure | - | 6-31+G(D,P) SDD | -3853.28187256; Eh | |||
 | 3-Oct-2019 | gas_sp2_ts_pdpme32_c_transnoulliu_calcall2 | Besora, Maria | Gaussian; 09; EM64L-G09RevA.02 | Single point Structure | RB3LYP | GEN | - | |||
 | 3-Oct-2019 | gas_sp2_ts_pdph32_c_trans | Besora, Maria | Gaussian; 09; EM64L-G09RevA.02 | Single point Structure | RB3LYP | GEN | - | |||
 | 3-Oct-2019 | DMF_sp2_ts_pdpme32_c_transnoulliu_freqread | Besora, Maria | Gaussian; 09; EM64L-G09RevA.02 | Single point Structure | RB3LYP | 6-31+G(D,P) SDD GEN | -3853.28331552; Eh | |||
 | 3-Oct-2019 | DMF_sp2_ts_pdpme32_c_transnoulliunou | Besora, Maria | Gaussian; 09; EM64L-G09RevA.02 | Single point Structure | - | 6-31+G(D,P) SDD | -3853.28331398; Eh |
Results 51-60 of 64 (Search time: 0.002 seconds).