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Item hits:
Preview | Title | Author(s) | Program | Method(s) | Basis Set | Energy | Solv. | Vibr. |
---|---|---|---|---|---|---|---|---|
IM0 | Prasad, Supreeth | Gaussian; 16; ES64L-G16RevA.03 | RB3LYP | DEF2SVP | -1207.74237156; Eh | |||
IM1 | Prasad, Supreeth | Gaussian; 16; ES64L-G16RevA.03 | RB3LYP | DEF2SVP | -1207.72645697; Eh | |||
IM3 | Prasad, Supreeth | Gaussian; 16; ES64L-G16RevA.03 | RB3LYP | DEF2SVP | -978.765751371; Eh | |||
IM2 | Prasad, Supreeth | Gaussian; 16; ES64L-G16RevA.03 | RB3LYP | DEF2SVP | -1207.74037676; Eh | |||
IM4 | Prasad, Supreeth | Gaussian; 16; ES64L-G16RevA.03 | RB3LYP | DEF2SVP | -3711.05661572; Eh | |||
IM5 | Prasad, Supreeth | Gaussian; 16; ES64L-G16RevA.03 | RB3LYP | DEF2SVP | -3711.07011845; Eh | |||
IM7 | Prasad, Supreeth | Gaussian; 16; ES64L-G16RevA.03 | RB3LYP | DEF2SVP | -1096.62643732; Eh | |||
IM8 | Prasad, Supreeth | Gaussian; 16; ES64L-G16RevA.03 | RB3LYP | DEF2SVP | -1096.64456396; Eh | |||
IM9 | Prasad, Supreeth | Gaussian; 16; ES64L-G16RevA.03 | RB3LYP | DEF2SVP | -1096.62497790; Eh | |||
IM10 | Prasad, Supreeth | Gaussian; 16; ES64L-G16RevA.03 | RB3LYP | DEF2SVP | -1096.63203448; Eh | |||
Catalyst | Prasad, Supreeth | Gaussian; 16; ES64L-G16RevA.03 | RB3LYP | DEF2SVP | -728.618374221; Eh | |||
Olefin-Zinc | Prasad, Supreeth | Gaussian; 16; ES64L-G16RevA.03 | RB3LYP | DEF2SVP | -2614.59907993; Eh | |||
TS1-IRC | Prasad, Supreeth | Gaussian; 16; ES64L-G16RevA.03 | - | DEF2SVP | -1207.73765634; Eh | |||
TS2-IRC | Prasad, Supreeth | Gaussian; 16; ES64L-G16RevA.03 | - | DEF2SVP | -3710.82558269; Eh | |||
TS3 | Prasad, Supreeth | Gaussian; 16; ES64L-G16RevA.03 | - | DEF2SVP | -3711.01837866; Eh | |||
TS3-IRC | Prasad, Supreeth | Gaussian; 16; ES64L-G16RevA.03 | - | DEF2SVP | -3711.01837866; Eh | |||
TS4 | Prasad, Supreeth | Gaussian; 16; ES64L-G16RevA.03 | RB3LYP | DEF2SVP | -1096.60843367; Eh | |||
TS4-IRC | Prasad, Supreeth | Gaussian; 16; ES64L-G16RevA.03 | - | DEF2SVP | -1096.47511848; Eh | |||
TS5-IRC | Prasad, Supreeth | Gaussian; 16; ES64L-G16RevA.03 | - | DEF2SVP | -1096.48852212; Eh | |||
Zn(OAc)2 | Prasad, Supreeth | Gaussian; 16; ES64L-G16RevA.03 | RB3LYP | DEF2SVP | -2235.91965262; Eh |
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