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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
2-Mar-2019 | Monoterpenes-32-M06-2X_6-31+(d,p) | Pahima, Efrat | Gaussian; 09; ES64L-G09RevE.01 | Geometry optimization Minimum | RM062X | - | -390.495890515; Eh | ||||
2-Mar-2019 | Monoterpenes-30-M06-2X_6-31+(d,p) | Pahima, Efrat | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RM062X | - | -390.500030188; Eh | ||||
2-Mar-2019 | Monoterpenes-25-M06-2X_6-31+(d,p) | Pahima, Efrat | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RM062X | - | -390.503281368; Eh | ||||
2-Mar-2019 | Monoterpenes-18-M06-2X_6-31+(d,p) | Pahima, Efrat | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RM062X | - | -390.507378353; Eh | ||||
2-Mar-2019 | Monoterpenes-15-M06-2X_6-31+(d,p) | Pahima, Efrat | Gaussian; 09; ES64L-G09RevE.01 | Geometry optimization Minimum | RM062X | - | -390.507504237; Eh | ||||
2-Mar-2019 | Monoterpenes-11-M06-2X_6-31+(d,p) | Pahima, Efrat | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RM062X | - | -390.508499033; Eh | ||||
2-Mar-2019 | Monoterpenes-05-M06-2X | Pahima, Efrat | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RM062X | - | -390.511137018; Eh | ||||
2-Mar-2019 | Monoterpenes-44-CBS-QB3 | Pahima, Efrat | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RB3LYP; RCCSD; RMP4SDQ-FC; RMP2-FC; CBS-QB3 | - | -389.7120381; Eh | ||||
2-Mar-2019 | Monoterpenes-41-CBS-QB3 | Pahima, Efrat | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RB3LYP; RCCSD; RMP4SDQ-FC; RMP2-FC; CBS-QB3 | - | -389.7268893; Eh | ||||
2-Mar-2019 | Monoterpenes-30-CBS-QB3 | Pahima, Efrat | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RB3LYP; RCCSD; RMP4SDQ-FC; RMP2-FC; CBS-QB3 | - | -389.7383001; Eh |
Results 91-100 of 182 (Search time: 0.0 seconds).