Browsing by Author Jensen, Vidar R.
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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 15-Oct-2021 | /GeomOpt_PBEPBE M62 | Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R. | Gaussian; 16; ES64L-G16RevB.01 | Geometry optimization Minimum | RHF; RPBEPBE | GENECP GEN | -2079.9834073; Eh | |||
 | 15-Oct-2021 | /GeomOpt_PBEPBE M63 | Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R. | Gaussian; 16; ES64L-G16RevB.01 | Geometry optimization Minimum | RHF; RPBEPBE | GENECP GEN | -1888.4722601; Eh | |||
 | 15-Oct-2021 | /GeomOpt_PBEPBE M64 | Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R. | Gaussian; 16; ES64L-G16RevB.01 | Geometry optimization Minimum | RHF; RPBEPBE | GENECP GEN | -1888.4517659; Eh | |||
 | 15-Oct-2021 | /GeomOpt_PBEPBE M65 | Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R. | Gaussian; 16; ES64L-G16RevB.01 | Geometry optimization Minimum | RHF; RPBEPBE | GENECP GEN | -1888.4790026; Eh | |||
 | 15-Oct-2021 | /GeomOpt_PBEPBE M66 | Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R. | Gaussian; 16; ES64L-G16RevB.01 | Geometry optimization Minimum | RHF; RPBEPBE | GENECP GEN | -1888.4716138; Eh | |||
 | 15-Oct-2021 | /GeomOpt_PBEPBE M67 | Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R. | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RHF; RPBEPBE | GENECP GEN | -2518.304176; Eh | |||
 | 15-Oct-2021 | /GeomOpt_PBEPBE M68 | Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R. | Gaussian; 16; ES64L-G16RevB.01 | Geometry optimization Minimum | RHF; RPBEPBE | GENECP GEN | -2541.4501743; Eh | |||
 | 15-Oct-2021 | /GeomOpt_PBEPBE M69 | Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R. | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RHF; RPBEPBE | GENECP GEN | -2541.478882; Eh | |||
 | 15-Oct-2021 | /GeomOpt_PBEPBE M7 | Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R. | Gaussian; 16; ES64L-G16RevB.01 | Geometry optimization Minimum | RHF; RPBEPBE | GENECP GEN | -2629.5328772; Eh | |||
 | 15-Oct-2021 | /GeomOpt_PBEPBE M70 | Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R. | Gaussian; 16; ES64L-G16RevB.01 | Geometry optimization Minimum | RHF; RPBEPBE | GENECP GEN | -2541.4443143; Eh | |||
 | 15-Oct-2021 | /GeomOpt_PBEPBE M71 | Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R. | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RHF; RPBEPBE | GENECP GEN | -2541.4979157; Eh | |||
 | 15-Oct-2021 | /GeomOpt_PBEPBE M72 | Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R. | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RHF; RPBEPBE | GENECP GEN | -2349.9939026; Eh | |||
 | 15-Oct-2021 | /GeomOpt_PBEPBE M73 | Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R. | Gaussian; 16; ES64L-G16RevB.01 | Geometry optimization Minimum | RHF; RPBEPBE | GENECP GEN | -2349.9693288; Eh | |||
 | 15-Oct-2021 | /GeomOpt_PBEPBE M74 | Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R. | Gaussian; 16; ES64L-G16RevB.01 | Geometry optimization Minimum | RHF; RPBEPBE | GENECP GEN | -2349.9621414; Eh | |||
 | 15-Oct-2021 | /GeomOpt_PBEPBE M75 | Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R. | Gaussian; 16; ES64L-G16RevB.01 | Geometry optimization Minimum | RHF; RPBEPBE | GENECP GEN | -2349.9918233; Eh | |||
 | 15-Oct-2021 | /GeomOpt_PBEPBE M76 | Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R. | Gaussian; 16; ES64L-G16RevB.01 | Geometry optimization Minimum | RHF; RPBEPBE | GENECP GEN | -2518.2826605; Eh | |||
 | 15-Oct-2021 | /GeomOpt_PBEPBE M77 | Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R. | Gaussian; 16; ES64L-G16RevB.01 | Geometry optimization Minimum | RHF; RPBEPBE | GENECP GEN | -2541.4043995; Eh | |||
 | 15-Oct-2021 | /GeomOpt_PBEPBE M78 | Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R. | Gaussian; 16; ES64L-G16RevB.01 | Geometry optimization Minimum | RHF; RPBEPBE | GENECP GEN | -2541.4066867; Eh | |||
 | 15-Oct-2021 | /GeomOpt_PBEPBE M79 | Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R. | Gaussian; 16; ES64L-G16RevB.01 | Geometry optimization Minimum | RHF; RPBEPBE | GENECP GEN | -2541.4165354; Eh | |||
 | 15-Oct-2021 | /GeomOpt_PBEPBE M8 | Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R. | Gaussian; 16; ES64L-G16RevB.01 | Geometry optimization Minimum | RPBEPBE | GEN | -2438.01956992; Eh |