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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_+1_1_pcm_f_m6_pc2 | Cooksy, Andrew | Gaussian; 16; EM64L-G16RevB.01 | Single point Minimum | RM06 | GEN | -3297.48337469; Eh | ||||
15-Nov-2023 | /Cluster_M06 TS2-3 | Le, Hiep | Gaussian; 16; ES64L-G16RevC.01 | Single point Minimum | RM06 | DEF2TZVP DEF2SVP GEN | -4542.20404309; Eh | ||||
15-Nov-2023 | /Cluster_M06 I2 | Le, Hiep | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RM06 | DEF2TZVP DEF2SVP GEN | -4542.23520912; 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 I1 | Le, Hiep | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RM06 | DEF2TZVP DEF2SVP GEN | -4082.44552279; 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 TS5-6 | Le, Hiep | Gaussian; 16; ES64L-G16RevC.01 | Single point Minimum | RM06 | DEF2TZVP DEF2SVP GEN | -4349.30438495; Eh | ||||
15-Nov-2023 | /Cluster_M06 I8 | Le, Hiep | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RM06 | DEF2TZVP DEF2SVP GEN | -4233.70804293; Eh | ||||
15-Nov-2023 | /Cluster_M06 I3 | Le, Hiep | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RM06 | DEF2TZVP DEF2SVP GEN | -4542.22829129; Eh | ||||
15-Nov-2023 | /Cluster_M06 I4 | Le, Hiep | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RM06 | DEF2TZVP DEF2SVP GEN | -4349.31504890; Eh |
Results 501-510 of 540 (Search time: 0.002 seconds).