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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 1-Apr-2023 | co-pc-Py_HOCO_+2_1_pcm_nbo_m6_pc2 | Cooksy, Andrew | Gaussian; 16; EM64L-G16RevB.01 | Single point Structure | RM06 | GEN | -3486.43087; Eh | |||
 | 1-Sep-2023 | EDA-NOCV | Novotny, Jan | Gaussian; 09; ES64L-G09RevE.01 | Geometry optimization Structure | RM06 | GEN | -645.837029895; Eh | |||
 | 15-Nov-2023 | /Cluster_M06 GVL | Le, Hiep | Gaussian; 16; ES64L-G16RevC.01 | Single point Minimum | RM06 | DEF2SVP GEN | -345.339719666; Eh | |||
 | 15-Nov-2023 | /Cluster_M06 iPrOH | Le, Hiep | Gaussian; 16; ES64L-G16RevC.01 | Single point Minimum | RM06 | DEF2SVP GEN | -194.076465819; Eh | |||
| 1-Sep-2023 | Constrained_optimisation_of_RS7 | Novotny, Jan | Gaussian; 09; ES64L-G09RevE.01 | Geometry optimization Structure | RM06 | GEN | -645.837029895; Eh | |||
| 1-Sep-2023 | Constrained_optimisation_of_RS8 | Novotny, Jan | Gaussian; 09; ES64L-G09RevE.01 | Geometry optimization Structure | RM06 | GEN | -645.837029895; Eh | |||
 | 15-Nov-2023 | /Cluster_M06 I1 | Le, Hiep | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RM06 | DEF2TZVP DEF2SVP GEN | -4082.44552279; Eh | |||
 | 15-Nov-2023 | /Cluster_M06 I0 | Le, Hiep | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RM06 | DEF2TZVP DEF2SVP GEN | -4276.58153606; Eh | |||
 | 15-Nov-2023 | /Cluster_M06 TS6-7 | Le, Hiep | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RM06 | DEF2TZVP DEF2SVP GEN | -4349.29001156; Eh | |||
 | 15-Nov-2023 | /Cluster_M06 TS9-10 | Le, Hiep | Gaussian; 16; ES64L-G16RevC.01 | Single point Minimum | RM06 | DEF2TZVP DEF2SVP GEN | -4427.80302010; Eh |
Results 501-510 of 569 (Search time: 0.002 seconds).