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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-TZ-2-butanol | Fjermestad, Torstein | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RPBE1PBE | 6-311+G(D) GEN | -2585.8943556; Eh | |||
 | 12-Aug-2024 | M-14cis-DZ | Fjermestad, Torstein | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBE1PBE | 6-31+G(D) GEN | -3703.19191067; Eh | |||
 | 12-Aug-2024 | M-14cis-TZ | Fjermestad, Torstein | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RPBE1PBE | 6-311+G(D) GEN | -3703.7341753; Eh | |||
 | 12-Aug-2024 | PPN-TZ-2-butanol | Fjermestad, Torstein | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RPBE1PBE | 6-311+G(D) GEN | -2125.6559586; Eh | |||
 | 12-Aug-2024 | Ep-TZ-2-butanol | Fjermestad, Torstein | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RPBE1PBE | 6-311+G(D) GEN | -309.5768291; Eh | |||
 | 12-Aug-2024 | CO2-TZ-2-butanol | Fjermestad, Torstein | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RPBE1PBE | 6-311+G(D) GEN | -188.4397615; Eh | |||
 | 27-Aug-2024 | M-15_DZ | Fjermestad, Torstein | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBE1PBE | 6-31+G(D) GEN | -4012.70666485; Eh | |||
 | 27-Aug-2024 | M-15-TZ | Fjermestad, Torstein | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RPBE1PBE | 6-311+G(D) GEN | -4013.310957; Eh | |||
 | 12-Aug-2024 | Ep-DZ | Fjermestad, Torstein | Gaussian; 16; ES64L-G16RevB.01 | Geometry optimization Minimum | RPBE1PBE | 6-31+G(D) GEN | -309.515751783; Eh |
Results 61-69 of 69 (Search time: 0.0 seconds).