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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 12-Aug-2024 | PPN-Cl-DZ | Fjermestad, Torstein | Gaussian; 16; ES64L-G16RevB.01 | Geometry optimization Minimum | RPBE1PBE | 6-31+G(D) GEN | -2585.57037882; Eh | |||
 | 12-Aug-2024 | PPN-TZ | Fjermestad, Torstein | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | RPBE1PBE | 6-311+G(D) GEN | -2125.6653682; Eh | |||
 | 12-Aug-2024 | M-7-TZ-2-butanol | Fjermestad, Torstein | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RPBE1PBE | 6-311+G(D) GEN | -3515.275962; Eh | |||
 | 12-Aug-2024 | M-6-TZ-2-butanol | Fjermestad, Torstein | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RPBE1PBE | 6-311+G(D) GEN | -3055.0188483; Eh | |||
 | 12-Aug-2024 | M-3-TZ-2-butanol | Fjermestad, Torstein | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RPBE1PBE | 6-311+G(D) GEN | -2896.0481963; Eh | |||
 | 12-Aug-2024 | TS7-14cis-DZ | Fjermestad, Torstein | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBE1PBE | 6-31+G(D) GEN | -3703.14621725; Eh | |||
 | 12-Aug-2024 | PPN-DZ | Fjermestad, Torstein | Gaussian; 16; ES64L-G16RevB.01 | Geometry optimization Minimum | RPBE1PBE | 6-31+G(D) GEN | -2125.36447574; Eh | |||
 | 12-Aug-2024 | Ep-TZ | Fjermestad, Torstein | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | RPBE1PBE | 6-311+G(D) GEN | -309.5766105; Eh | |||
 | 12-Aug-2024 | M-5trans-TZ-2-butanol | Fjermestad, Torstein | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RPBE1PBE | 6-311+G(D) GEN | -3205.6646192; Eh | |||
 | 12-Aug-2024 | TS7-14cis-TZ | Fjermestad, Torstein | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RPBE1PBE | 6-311+G(D) GEN | -3703.6903391; Eh |
Results 51-60 of 69 (Search time: 0.001 seconds).