Browsing by Subject phosphine
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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 4-Sep-2024 | /0L I1_0L | Garay Ruiz, Diego | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization Minimum | RwB97XD | SDD DEF2TZVP GEN | -564.590217977; Eh | |||
 | 4-Sep-2024 | /0L I2_0L | Garay Ruiz, Diego | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization Minimum | RwB97XD | SDD DEF2TZVP GEN | -451.243273721; Eh | |||
 | 4-Sep-2024 | /0L I3_0L | Garay Ruiz, Diego | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization Minimum | RwB97XD | SDD DEF2TZVP GEN | -529.855515648; Eh | |||
 | 4-Sep-2024 | /0L I4_0L | Garay Ruiz, Diego | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization Minimum | RwB97XD | SDD DEF2TZVP GEN | -529.868585958; Eh | |||
 | 4-Sep-2024 | /0L I5_0L | Garay Ruiz, Diego | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization Minimum | RwB97XD | SDD DEF2TZVP GEN | -643.211282819; Eh | |||
 | 4-Sep-2024 | /0L I6_0L | Garay Ruiz, Diego | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization Minimum | RwB97XD | SDD DEF2TZVP GEN | -643.221506035; Eh | |||
 | 4-Sep-2024 | /0L I7_0L | Garay Ruiz, Diego | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization Minimum | RwB97XD | SDD DEF2TZVP GEN | -756.561500122; Eh | |||
 | 4-Sep-2024 | /0L I8_0L | Garay Ruiz, Diego | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization Minimum | RwB97XD | SDD DEF2TZVP GEN | -644.398488727; Eh | |||
 | 4-Sep-2024 | /0L I9_0L | Garay Ruiz, Diego | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization Minimum | RwB97XD | SDD DEF2TZVP GEN | -644.417860607; Eh | |||
 | 4-Sep-2024 | /0L TS1_0L | Garay Ruiz, Diego | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization TS | RwB97XD | SDD DEF2TZVP GEN | -529.835285663; Eh | |||
 | 4-Sep-2024 | /0L TS2_0L | Garay Ruiz, Diego | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization TS | RwB97XD | SDD DEF2TZVP GEN | -643.186984679; Eh | |||
 | 4-Sep-2024 | /0L TS3_0L | Garay Ruiz, Diego | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization TS | RwB97XD | SDD DEF2TZVP GEN | -644.387535554; Eh | |||
 | 4-Sep-2024 | /0L TS4_0L | Garay Ruiz, Diego | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization TS | RwB97XD | SDD DEF2TZVP GEN | -644.380866422; Eh | |||
 | 4-Sep-2024 | /1L I1_1L | Garay Ruiz, Diego | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization Minimum | RwB97XD | SDD DEF2TZVP GEN | -912.410851406; Eh | |||
 | 4-Sep-2024 | /1L I2c_1L | Garay Ruiz, Diego | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization Minimum | RwB97XD | SDD DEF2TZVP GEN | -799.063875866; Eh | |||
 | 4-Sep-2024 | /1L I2t_1L | Garay Ruiz, Diego | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization Minimum | RwB97XD | SDD DEF2TZVP GEN | -799.058923293; Eh | |||
 | 4-Sep-2024 | /1L I3_1L | Garay Ruiz, Diego | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization Minimum | RwB97XD | SDD DEF2TZVP GEN | -877.673542524; Eh | |||
 | 4-Sep-2024 | /1L I4_1L | Garay Ruiz, Diego | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization Minimum | RwB97XD | SDD DEF2TZVP GEN | -877.688550621; Eh | |||
 | 4-Sep-2024 | /1L I5_1L | Garay Ruiz, Diego | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization Minimum | RwB97XD | SDD DEF2TZVP GEN | -991.028717104; Eh | |||
 | 4-Sep-2024 | /1L I6_1L | Garay Ruiz, Diego | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization Minimum | RwB97XD | SDD DEF2TZVP GEN | -991.043106239; Eh |