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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 15-Nov-2023 | /Cluster_PBE0-D3 TS5-6 | Le, Hiep | Gaussian; 16; ES64L-G16RevC.01 | Single point Minimum | RPBE1PBE | DEF2TZVP DEF2SVP GEN | -4347.36463020; 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_PBE0-D3 iPrOH | Le, Hiep | Gaussian; 16; ES64L-G16RevC.01 | Single point Minimum | RPBE1PBE | DEF2SVP GEN | -193.989049948; Eh | |||
 | 15-Nov-2023 | /Cluster_PBE0-D3 Me2CO | Le, Hiep | Gaussian; 16; ES64L-G16RevC.01 | Single point Minimum | RPBE1PBE | DEF2SVP GEN | -192.788730717; Eh | |||
 | 9-Feb-2023 | /Hammett R_Me | Guo, Wentao | Gaussian; 16; ES64L-G16RevC.01 | Single point Minimum | RM062X | 6-31G(D,P) | -1944.66172620; Eh | |||
 | 20-Sep-2023 | hbtp_pmm_temp | Artigas Ruf, Albert | Gaussian; 16; ES64L-G16RevA.03 | Single point Minimum | RwB97XD | DEF2SVP | -1613.30555865; 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 I6 | Le, Hiep | Gaussian; 16; ES64L-G16RevC.01 | Single point Minimum | RM06 | DEF2TZVP DEF2SVP GEN | -4349.31737108; Eh | |||
 | 15-Nov-2023 | /Cluster_M06 I7 | Le, Hiep | Gaussian; 16; ES64L-G16RevC.01 | Single point Minimum | RM06 | DEF2TZVP DEF2SVP GEN | -4349.30682868; Eh | |||
 | 15-Nov-2023 | /Cluster_PBE0-D3 GVL | Le, Hiep | Gaussian; 16; ES64L-G16RevC.01 | Single point Minimum | RPBE1PBE | DEF2SVP GEN | -345.178346513; Eh |
Results 161-170 of 214 (Search time: 0.001 seconds).