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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 PRODUCT_4A | Artigas, Albert | Gaussian; 09; ES64L-G09RevE.01 | Geometry optimization Minimum | RB3LYP | - | -1185.18364791; Eh | |||
 | 12-Jun-2019 | /OPTFREQ A5P_ENDO_A | Artigas, Albert | Gaussian; 09; ES64L-G09RevE.01 | Geometry optimization Minimum | RB3LYP | cc-pVDZ | -4020.20293504; Eh | |||
 | 12-Jun-2019 | /OPTFREQ A4P_EXO_B | Artigas, Albert | Gaussian; 09; ES64L-G09RevE.01 | Geometry optimization Minimum | RB3LYP | cc-pVDZ | -4020.18754483; Eh | |||
 | 12-Jun-2019 | /OPTFREQ A3 | Artigas, Albert | Gaussian; 09; ES64L-G09RevE.01 | Geometry optimization Minimum | RB3LYP | cc-pVDZ | -3674.28198236; Eh | |||
 | 12-Jun-2019 | /OPTFREQ A4P_ENDO_A | Artigas, Albert | Gaussian; 09; ES64L-G09RevE.01 | Geometry optimization Minimum | RB3LYP | cc-pVDZ | -4020.17690076; Eh | |||
 | 12-Jun-2019 | /OPTFREQ A5P_EXO_A | Artigas, Albert | Gaussian; 09; ES64L-G09RevE.01 | Geometry optimization Minimum | RB3LYP | cc-pVDZ | -4020.20816382; Eh | |||
 | 12-Jun-2019 | /OPTFREQ A1 | Artigas, Albert | Gaussian; 09; ES64L-G09RevE.01 | Geometry optimization Minimum | RB3LYP | cc-pVDZ | -3674.24208463; Eh | |||
 | 12-Jun-2019 | /OPTFREQ PRODUCT_3AAP | Artigas, Albert | Gaussian; 09; ES64L-G09RevE.01 | Geometry optimization Minimum | RB3LYP | - | -1531.07226131; Eh | |||
 | 12-Jun-2019 | /OPTFREQ A3P | Artigas, Albert | Gaussian; 09; ES64L-G09RevE.01 | Geometry optimization Minimum | RB3LYP | cc-pVDZ | -3674.27944959; Eh | |||
 | 12-Jun-2019 | /OPTFREQ B1 | Artigas, Albert | Gaussian; 09; ES64L-G09RevE.01 | Geometry optimization Minimum | RB3LYP | cc-pVDZ | -3674.31541676; Eh |
Results 11-20 of 20 (Search time: 0.0 seconds).