Browsing by Subject Olefin metathesis
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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 11-Dec-2023 | /GeomOpt_OLYP_def2TZVPP 9 | Foscato, Marco | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RHF; ROLYP | DEF2SVPP DEF2TZVPP | -2294.5652935; Eh | |||
 | 11-Dec-2023 | /GeomOpt_OLYP_def2TZVPP A12 | Foscato, Marco | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RHF; ROLYP | DEF2SVPP DEF2TZVPP | -1980.2123829; Eh | |||
 | 11-Dec-2023 | /GeomOpt_OLYP_def2TZVPP A13 | Foscato, Marco | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RHF; ROLYP | DEF2SVPP DEF2TZVPP | -1979.0216845; Eh | |||
 | 11-Dec-2023 | /GeomOpt_OLYP_def2TZVPP A15 | Foscato, Marco | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RHF; ROLYP | DEF2SVPP DEF2TZVPP | -2216.0119632; Eh | |||
 | 11-Dec-2023 | /GeomOpt_OLYP_def2TZVPP A37 | Foscato, Marco | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RHF; ROLYP | DEF2SVPP DEF2TZVPP | -2141.4083358; Eh | |||
 | 11-Dec-2023 | /GeomOpt_OLYP_def2TZVPP As2 | Foscato, Marco | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RHF; ROLYP | DEF2SVPP DEF2TZVPP | -3411.1285292; Eh | |||
 | 11-Dec-2023 | /GeomOpt_OLYP_def2TZVPP CO | Foscato, Marco | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RHF; ROLYP | DEF2SVPP DEF2TZVPP | -1168.2489202; Eh | |||
 | 11-Dec-2023 | /GeomOpt_OLYP_def2TZVPP H3 | Foscato, Marco | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RHF; ROLYP | DEF2SVPP DEF2TZVPP | -1281.1095088; Eh | |||
 | 11-Dec-2023 | /GeomOpt_OLYP_def2TZVPP NC1 | Foscato, Marco | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | ROLYP | DEF2TZVPP | -1418.70181251; Eh | |||
 | 11-Dec-2023 | /GeomOpt_OLYP_def2TZVPP P16 | Foscato, Marco | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RHF; ROLYP | DEF2SVPP DEF2TZVPP | -1695.9359923; Eh | |||
 | 11-Dec-2023 | /GeomOpt_OLYP_def2TZVPP P4 | Foscato, Marco | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RHF; ROLYP | DEF2SVPP DEF2TZVPP | -1751.7938004; Eh | |||
 | 11-Dec-2023 | /GeomOpt_OLYP_def2TZVPP P8 | Foscato, Marco | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RHF; ROLYP | DEF2SVPP DEF2TZVPP | -2091.1745847; Eh | |||
 | 11-Dec-2023 | /GeomOpt_OLYP_SMDbenzene 9 | Foscato, Marco | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RHF; ROLYP | LANL2MB LANL2DZ | -1402.3935813; Eh | |||
 | 11-Dec-2023 | /GeomOpt_OLYP_SMDbenzene A12 | Foscato, Marco | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RHF; ROLYP | LANL2MB LANL2DZ | -1088.1665854; Eh | |||
 | 11-Dec-2023 | /GeomOpt_OLYP_SMDbenzene A13 | Foscato, Marco | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RHF; ROLYP | LANL2MB LANL2DZ | -1086.9748163; Eh | |||
 | 11-Dec-2023 | /GeomOpt_OLYP_SMDbenzene A15 | Foscato, Marco | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RHF; ROLYP | LANL2MB LANL2DZ | -1323.8600492; Eh | |||
 | 11-Dec-2023 | /GeomOpt_OLYP_SMDbenzene A37 | Foscato, Marco | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | ROLYP | LANL2DZ | -1249.32738142; Eh | |||
 | 11-Dec-2023 | /GeomOpt_OLYP_SMDbenzene As2 | Foscato, Marco | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RHF; ROLYP | LANL2MB LANL2DZ | -289.0306113; Eh | |||
 | 11-Dec-2023 | /GeomOpt_OLYP_SMDbenzene CO | Foscato, Marco | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RHF; ROLYP | LANL2MB LANL2DZ | -276.5292684; Eh | |||
 | 11-Dec-2023 | /GeomOpt_OLYP_SMDbenzene H3 | Foscato, Marco | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RHF; ROLYP | LANL2MB LANL2DZ | -389.365866; Eh |