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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 3-Oct-2019 | /C60ACET/OPTFREQ PRODUCT | Artigas, Albert | Gaussian; 09; AM64L-G09RevD.01 | Geometry optimization Minimum | RB3LYP | cc-pVDZ | -2441.24498186; Eh | |||
 | 2-Oct-2021 | /lin/ox3 z_lin_t_27_3_111-111 | Blancafort, Lluís | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RCAM-B3LYP; TD-FC | 6-311G(D,P) | -1023.326506; Eh | |||
 | 3-Oct-2019 | /C60ACET/OPTFREQ B6_56 | Artigas, Albert | Gaussian; 09; AM64L-G09RevD.01 | Geometry optimization Minimum | RB3LYP | cc-pVDZ | -4048.12013886; Eh | |||
 | 3-Oct-2019 | /C60ACET/OPTFREQ C7_66 | Artigas, Albert | Gaussian; 09; AM64L-G09RevD.01 | Geometry optimization Minimum | RB3LYP | cc-pVDZ | -4048.26172002; Eh | |||
 | 3-Oct-2019 | /C60ACET/OPTFREQ B6 | Artigas, Albert | Gaussian; 09; AM64L-G09RevD.01 | Geometry optimization Minimum | RB3LYP | cc-pVDZ | -4048.14686589; Eh | |||
 | 3-Oct-2019 | /C60ACET/OPTFREQ C7P_66 | Artigas, Albert | Gaussian; 09; AM64L-G09RevD.01 | Geometry optimization Minimum | RB3LYP | cc-pVDZ | -3011.80400143; Eh | |||
 | 3-Oct-2019 | /C60ACET/OPTFREQ B6P | Artigas, Albert | Gaussian; 09; AM64L-G09RevD.01 | Geometry optimization Minimum | RB3LYP | cc-pVDZ | -3011.69832995; Eh | |||
 | 3-Oct-2019 | /C60ACET/OPTFREQ B5_56 | Artigas, Albert | Gaussian; 09; AM64L-G09RevD.01 | Geometry optimization Minimum | RB3LYP | cc-pVDZ | -5084.54789706; Eh | |||
 | 3-Oct-2019 | /C60ACET/OPTFREQ B5P_56 | Artigas, Albert | Gaussian; 09; AM64L-G09RevD.01 | Geometry optimization Minimum | RB3LYP | cc-pVDZ | -3970.77701776; Eh | |||
 | 3-Oct-2019 | /C60ACET/OPTFREQ B5P | Artigas, Albert | Gaussian; 09; AM64L-G09RevD.01 | Geometry optimization Minimum | RB3LYP | cc-pVDZ | -3970.78159766; Eh |
Results 11-20 of 1568 (Search time: 0.001 seconds).