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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 12-Jun-2019 | /OPTFREQ TS_A53AA_ENDO_A | Artigas, Albert | Gaussian; 09; ES64L-G09RevE.01 | Geometry optimization TS | RB3LYP | - | -1530.99199300; Eh | |||
 | 3-Oct-2019 | /C60ACET/OPTFREQ B6PA7P_56 | Artigas, Albert | Gaussian; 09; AM64L-G09RevD.01 | Geometry optimization TS | RB3LYP | cc-pVDZ | -3011.66256173; Eh | |||
 | 3-Oct-2019 | /C60ACET/OPTFREQ C60 | Artigas, Albert | Gaussian; 09; AM64L-G09RevD.01 | Geometry optimization Minimum | RB3LYP | - | -2286.42777924; Eh | |||
 | 3-Oct-2019 | /C60ACET/OPTFREQ PRODUCT_56 | Artigas, Albert | Gaussian; 09; AM64L-G09RevD.01 | Geometry optimization Minimum | RB3LYP | cc-pVDZ | -2441.21764099; Eh | |||
 | 3-Oct-2019 | TS_55_CONCERTED | Artigas, Albert | Gaussian; 09; ES64L-G09RevE.01 | Single point Structure | RB3LYP | - | -2785.22568918; Eh | |||
 | 3-Oct-2019 | /C60ACET/OPTFREQ WILKINSON | Artigas, Albert | Gaussian; 09; AM64L-G09RevD.01 | Geometry optimization Minimum | RB3LYP | cc-pVDZ | -3679.83632014; Eh | |||
 | 3-Oct-2019 | TS_56d_CONCERTED | Artigas, Albert | Gaussian; 09; ES64L-G09RevE.01 | Geometry optimization TS | RB3LYP | - | -2785.22292762; Eh | |||
 | 3-Oct-2019 | /C60ACET/OPTFREQ B6P_56 | Artigas, Albert | Gaussian; 09; AM64L-G09RevD.01 | Geometry optimization Minimum | RB3LYP | cc-pVDZ | -3011.67550807; Eh | |||
 | 3-Oct-2019 | /C60ACET/OPTFREQ B6PA7P | Artigas, Albert | Gaussian; 09; AM64L-G09RevD.01 | Geometry optimization TS | RB3LYP | cc-pVDZ | -3011.68803019; Eh | |||
 | 3-Oct-2019 | /C60ACET/OPTFREQ PPH3 | Artigas, Albert | Gaussian; 09; AM64L-G09RevD.01 | Geometry optimization Minimum | RB3LYP | cc-pVDZ | -1036.38610999; Eh |
Results 11-20 of 185 (Search time: 0.0 seconds).