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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 3-Oct-2019 | THF_sp2_ts_pdph3_s_trans3 | Besora, Maria | Gaussian; 09; EM64L-G09RevA.02 | Geometry optimization TS | RB3LYP | 6-31+G(D,P) SDD GEN | -3274.17719940; Eh | |||
 | 3-Oct-2019 | THF_sp2_ts_pdpme3_c_cis | Besora, Maria | Gaussian; 09; EM64L-G09RevA.02 | Geometry optimization TS | RB3LYP | 6-31+G(D,P) SDD GEN | -3392.15339772; Eh | |||
 | 3-Oct-2019 | ircfor_thf_sp2_ts_pdpme32_c_transnoulliu_fromDMFcalcall13 | Besora, Maria | Gaussian; 09; EM64L-G09RevA.02 | Single point Structure | - | 6-31+G(D,P) SDD | -3853.33471403; Eh | |||
 | 3-Oct-2019 | thf_sp2_ts_pdpme32_c_transnoulliu_fromDMFcalcall3 | Besora, Maria | Gaussian; 09; EM64L-G09RevA.02 | Single point Structure | - | 6-31+G(D,P) SDD | -3853.28096684; Eh | |||
 | 3-Oct-2019 | thf_sp2_ts_pdpme32_c_transnoulliu_fromDMFcalcall16_b | Besora, Maria | Gaussian; 09; EM64L-G09RevA.02 | Geometry optimization TS | RB3LYP | 6-31+G(D,P) SDD GEN | -3853.28812225; Eh | |||
 | 3-Oct-2019 | thf_sp2_ts_pdpme32_c_transnoulliu_fromDMFcalcall19b | Besora, Maria | Gaussian; 09; EM64L-G09RevA.02 | Geometry optimization TS | RB3LYP | 6-31+G(D,P) SDD GEN | -3853.28192810; Eh | |||
 | 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_fromDMFcalcall17 | Besora, Maria | Gaussian; 09; EM64L-G09RevA.02 | Single point Structure | - | 6-31+G(D,P) SDD | -3853.28189297; 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 |
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- 294 Imine Condensation
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