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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 1-Oct-2021 | atfms_9BBN_am | Jover Modrego, Jesús | Gaussian; 09; ES64L-G09RevD.01 | Geometry optimization Minimum | RB3LYP | TZVP | -1192.26077870; Eh | |||
 | 1-Oct-2021 | atfms_9BBN_m | Jover Modrego, Jesús | Gaussian; 09; ES64L-G09RevD.01 | Geometry optimization Minimum | RB3LYP | TZVP | -1192.26022305; Eh | |||
 | 1-Oct-2021 | atfms | Jover Modrego, Jesús | Gaussian; 09; ES64L-G09RevD.01 | Geometry optimization Minimum | RB3LYP | TZVP | -853.340617254; Eh | |||
 | 1-Oct-2021 | TS2_SN2_am_tfmvs | Jover Modrego, Jesús | Gaussian; 09; ES64L-G09RevD.01 | Geometry optimization TS | RB3LYP | TZVP | -3804.43415632; Eh | |||
 | 1-Oct-2021 | TS2_SN2_am_hfib | Jover Modrego, Jesús | Gaussian; 09; ES64L-G09RevD.01 | Geometry optimization TS | RB3LYP | TZVP | -3743.40263790; Eh | |||
 | 1-Oct-2021 | TS2_SN2_atfms | Jover Modrego, Jesús | Gaussian; 09; ES64L-G09RevD.01 | Geometry optimization TS | RB3LYP | TZVP | -3843.76105909; Eh | |||
 | 1-Oct-2021 | TS_BH_am_2_tfmvs | Jover Modrego, Jesús | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | RB3LYP | TZVP | -1152.86797571; Eh | |||
 | 1-Oct-2021 | TS2_C_tfmb | Jover Modrego, Jesús | Gaussian; 09; ES64L-G09RevD.01 | Geometry optimization TS | RB3LYP | TZVP | -3445.57329374; Eh | |||
 | 1-Oct-2021 | TS2_SN2_tfmb | Jover Modrego, Jesús | Gaussian; 09; ES64L-G09RevD.01 | Geometry optimization TS | RB3LYP | TZVP | -3445.56752733; Eh | |||
 | 1-Oct-2021 | TS_BH_am_atfms | Jover Modrego, Jesús | Gaussian; 09; ES64L-G09RevD.01 | Geometry optimization TS | RB3LYP | TZVP | -1192.20398806; Eh |
Results 71-80 of 901 (Search time: 0.001 seconds).