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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 4-Jan-2022 | /Starting_Materials/opt Psyn | Limburg, Bart | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RB3LYP | 6-31G(D) GEN | -809.082415971; Eh | |||
 | 4-Jan-2022 | /Starting_Materials/opt collidine | Limburg, Bart | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RB3LYP | 6-31G(D) GEN | -366.260256805; Eh | |||
 | 4-Jan-2022 | /Starting_Materials/opt PhCHO | Limburg, Bart | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RB3LYP | 6-31G(D) GEN | -345.585397350; Eh | |||
 | 4-Jan-2022 | /Starting_Materials/opt collidine-H_Cl | Limburg, Bart | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RB3LYP | 6-31G(D) 6-31G+(D) GEN | -827.104573457; Eh | |||
 | 4-Jan-2022 | /Starting_Materials/opt/Single_Points Panti_SP | Limburg, Bart | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | CC-PVTZ AUG-CC-PVTZ GEN | -809.4022821; Eh | |||
 | 4-Jan-2022 | /Starting_Materials/opt/Single_Points Psyn_SP | Limburg, Bart | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | CC-PVTZ AUG-CC-PVTZ GEN | -809.4031519; Eh | |||
 | 4-Jan-2022 | /Starting_Materials/opt Panti | Limburg, Bart | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RB3LYP | 6-31G(D) GEN | -809.080113234; Eh |
Results 1-7 of 7 (Search time: 0.008 seconds).