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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 11-Mar-2021 | DCM_INTHOMO | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RB3LYP | 6-31+G(D,P) SDD GEN | -2787.06035680; Eh | |||
 | 11-Mar-2021 | DCM_pyrrolidinone3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RB3LYP | 6-31+G(D,P) GEN | -365.312604545; Eh | |||
 | 11-Mar-2021 | DCM_azetidinone4 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RB3LYP | 6-31+G(D,P) GEN | -365.288824689; Eh | |||
 | 11-Mar-2021 | DCM_metallocarbene6 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RB3LYP | 6-31+G(D,P) SDD GEN | -2312.28934831; Eh | |||
 | 11-Mar-2021 | DCM_metallocarbene7 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RB3LYP | 6-31+G(D,P) SDD GEN | -2198.98507083; Eh | |||
 | 11-Mar-2021 | DCM_INTDCO2 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RB3LYP | 6-31+G(D,P) SDD GEN | -2312.29968795; Eh | |||
 | 11-Mar-2021 | DCM_INTDCO1 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RB3LYP | 6-31+G(D,P) SDD GEN | -2312.28247342; Eh | |||
 | 11-Mar-2021 | DCM_TSDCO3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | RB3LYP | 6-31+G(D,P) SDD GEN | -2312.27972372; Eh | |||
 | 11-Mar-2021 | DCM_TSDCO2 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | RB3LYP | 6-31+G(D,P) SDD GEN | -2312.28176016; Eh | |||
 | 11-Mar-2021 | DCM_TSDCO | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | RB3LYP | 6-31+G(D,P) SDD GEN | -2312.27070328; Eh |
Results 4291-4300 of 4310 (Search time: 0.005 seconds).