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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 2-Oct-2021 | /lin/ox1 z_lin_t_23_1_100-010 | Blancafort, Lluís | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RCAM-B3LYP; TD-FC | 6-311G(D,P) | -1025.856659; Eh | |||
 | 3-Oct-2019 | PRODUCT_66_TRIPLET | Artigas, Albert | Gaussian; 09; ES64L-G09RevE.01 | Geometry optimization Minimum | UB3LYP | - | -2785.26422697; Eh | |||
 | 3-Oct-2019 | PRODUCT_55_SOS | Artigas, Albert | Gaussian; 09; ES64L-G09RevE.01 | Geometry optimization Minimum | UB3LYP | - | -2785.29394384; Eh | |||
 | 3-Oct-2019 | /C60ACET/OPTFREQ B3 | Artigas, Albert | Gaussian; 09; AM64L-G09RevD.01 | Geometry optimization Minimum | RB3LYP | cc-pVDZ | -5007.20770040; Eh | |||
 | 3-Oct-2019 | /C60ACET/OPTFREQ B2 | Artigas, Albert | Gaussian; 09; AM64L-G09RevD.01 | Geometry optimization Minimum | RB3LYP | cc-pVDZ | -4929.84383327; Eh | |||
 | 3-Oct-2019 | PRODUCT_56f_TRIPLET | Artigas, Albert | Gaussian; 09; ES64L-G09RevE.01 | Geometry optimization Minimum | UB3LYP | - | -2785.28167712; Eh | |||
 | 3-Oct-2019 | I2_66_SOS | Artigas, Albert | Gaussian; 09; ES64L-G09RevE.01 | Geometry optimization Minimum | UB3LYP | - | -2785.21968225; Eh | |||
 | 3-Oct-2019 | /C60ACET/OPTFREQ A8_56 | Artigas, Albert | Gaussian; 09; AM64L-G09RevD.01 | Geometry optimization Minimum | RB3LYP | cc-pVDZ | -4048.23111339; Eh | |||
 | 3-Oct-2019 | /C60ACET/OPTFREQ A9_56 | Artigas, Albert | Gaussian; 09; AM64L-G09RevD.01 | Geometry optimization Minimum | RB3LYP | cc-pVDZ | -5084.67135100; Eh | |||
 | 3-Oct-2019 | /C60ACET/OPTFREQ A8P_56 | Artigas, Albert | Gaussian; 09; AM64L-G09RevD.01 | Geometry optimization Minimum | RB3LYP | cc-pVDZ | -3011.71319329; Eh |
Results 31-40 of 1568 (Search time: 0.001 seconds).