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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 A13 | Foscato, Marco | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RHF; ROLYP | DEF2SVPP DEF2TZVPP | -1979.0216845; 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 A15 | Foscato, Marco | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RHF; ROLYP | DEF2SVPP DEF2TZVPP | -2216.0119632; Eh | |||
 | 11-Dec-2023 | /GeomOpt_OLYP_SMDbenzene_def2TZVPP P8 | Foscato, Marco | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RHF; ROLYP | DEF2SVPP DEF2TZVPP | -2091.2033538; 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 9 | Foscato, Marco | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RHF; ROLYP | DEF2SVPP DEF2TZVPP | -2294.5652935; 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 | |||
 | 11-Dec-2023 | /GeomOpt_OLYP_SMDbenzene NC1 | Foscato, Marco | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RHF; ROLYP | LANL2MB LANL2DZ | -526.881516; 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_def2TZVPP A13 | Foscato, Marco | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RHF; ROLYP | DEF2SVPP DEF2TZVPP | -1979.0522636; Eh |
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