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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 B5PP_56 | Artigas, Albert | Gaussian; 09; AM64L-G09RevD.01 | Geometry optimization Minimum | RB3LYP | cc-pVDZ | -2934.30912813; Eh | |||
 | 3-Oct-2019 | /C60ACET/OPTFREQ B5PP | Artigas, Albert | Gaussian; 09; AM64L-G09RevD.01 | Geometry optimization Minimum | RB3LYP | cc-pVDZ | -2934.33618756; Eh | |||
 | 3-Oct-2019 | /C60ACET/OPTFREQ B4PP | Artigas, Albert | Gaussian; 09; AM64L-G09RevD.01 | Geometry optimization Minimum | RB3LYP | cc-pVDZ | -2934.32408648; Eh | |||
 | 3-Oct-2019 | /C60ACET/OPTFREQ B4P | Artigas, Albert | Gaussian; 09; AM64L-G09RevD.01 | Geometry optimization Minimum | RB3LYP | cc-pVDZ | -3970.77237810; Eh | |||
 | 3-Oct-2019 | I2_66_TRIPLET | Artigas, Albert | Gaussian; 09; ES64L-G09RevE.01 | Geometry optimization Minimum | UB3LYP | - | -2785.22065252; Eh | |||
 | 3-Oct-2019 | /C60ACET/OPTFREQ B4_56 | Artigas, Albert | Gaussian; 09; AM64L-G09RevD.01 | Geometry optimization Minimum | RB3LYP | cc-pVDZ | -5007.22654435; Eh | |||
 | 2-Oct-2021 | /cyc/ox1 s_cyc_34_67_1_000-11x | Blancafort, Lluís | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RCAM-B3LYP; TD-FC | 6-311G(D,P) | -1024.6516224; Eh | |||
 | 3-Oct-2019 | I2_56d_TRIPLET | Artigas, Albert | Gaussian; 09; ES64L-G09RevE.01 | Geometry optimization Minimum | UB3LYP | - | -2785.24094107; Eh | |||
 | 3-Oct-2019 | PRODUCT_66_SOS | Artigas, Albert | Gaussian; 09; ES64L-G09RevE.01 | Geometry optimization Minimum | UB3LYP | - | -2785.26288383; Eh | |||
 | 2-Oct-2021 | /lin/ox2 z_lin_t_33_2_001-111 | Blancafort, Lluís | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RCAM-B3LYP; TD-FC | 6-311G(D,P) | -1024.6277493; Eh |
Results 21-30 of 1568 (Search time: 0.001 seconds).