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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 3-Oct-2019 | ircfor_water_sp2_ts_pdpme32_c_transnoulliu_fromDMF_calcall6 | Besora, Maria | Gaussian; 09; EM64L-G09RevA.02 | Single point Structure | - | 6-31+G(D,P) SDD | -3853.32304909; Eh | |||
 | 3-Oct-2019 | ircrev_water_sp2_ts_pdpme32_c_transnoulliu_fromDMF_calcall6 | Besora, Maria | Gaussian; 09; EM64L-G09RevA.02 | Single point Structure | - | 6-31+G(D,P) SDD | -3853.30878901; Eh | |||
 | 3-Oct-2019 | water_sp2_ts_pdpme32_c_transnoulliu_fromDMF | Besora, Maria | Gaussian; 09; EM64L-G09RevA.02 | Single point Structure | - | 6-31+G(D,P) SDD | -3853.28384252; Eh | |||
 | 3-Oct-2019 | water_sp2_ts_pdpme32_c_transnoulliu_fromDMF_calcfc | Besora, Maria | Gaussian; 09; EM64L-G09RevA.02 | Single point Structure | - | 6-31+G(D,P) SDD | -3853.28396917; Eh | |||
 | 3-Oct-2019 | water_sp2_ts_pdpme32_c_transnoulliu_fromDMF_calcall3 | Besora, Maria | Gaussian; 09; EM64L-G09RevA.02 | Single point Structure | - | 6-31+G(D,P) SDD | -3853.28396878; Eh | |||
 | 3-Oct-2019 | water_sp2_ts_pdpme32_c_transnoulliu_fromDMF_calcall4 | Besora, Maria | Gaussian; 09; EM64L-G09RevA.02 | Single point Structure | - | 6-31+G(D,P) SDD | -3853.28396759; Eh | |||
 | 3-Oct-2019 | gas_sp2_ts_pdpme3_c_trans2 | Besora, Maria | Gaussian; 09; EM64L-G09RevA.02 | Single point Structure | RB3LYP | GEN | - | |||
 | 3-Oct-2019 | gas_sp2_ts_pdpme3_c_trans | Besora, Maria | Gaussian; 09; EM64L-G09RevA.02 | Single point Structure | RB3LYP | GEN | - | |||
 | 3-Oct-2019 | gas_sp2_ts_pdpme3_c_cis | Besora, Maria | - | Single point Structure | - | - | - | |||
 | 3-Oct-2019 | gas_sp2_ts_pdpph32_s_cis2 | Besora, Maria | Gaussian; 09; EM64L-G09RevA.02 | Single point Structure | - | 6-31+G(D,P) 6-31G(D) SDD | -5003.59708064; Eh |
Results 1-10 of 64 (Search time: 0.002 seconds).