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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 12-Oct-2022 | /intermediates_pcm G12_PCM | Skjelstad, Bastian Bjerkem | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RPBEPBE | DEF2TZVP | -4612.9262911; Eh | |||
 | 12-Oct-2022 | /transition_states TS_G15_G9 | Skjelstad, Bastian Bjerkem | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Structure | RPBEPBE | DEF2SVP DEF2TZVP | -4612.67807037; Eh | |||
 | 12-Oct-2022 | /intermediates G75 | Skjelstad, Bastian Bjerkem | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Structure | RPBEPBE | DEF2SVP DEF2TZVP | -4612.65798546; Eh | |||
 | 12-Oct-2022 | /transition_states TS_G41_G15 | Skjelstad, Bastian Bjerkem | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Structure | RPBEPBE | DEF2SVP DEF2TZVP | -4612.66916564; Eh | |||
 | 12-Oct-2022 | /intermediates G9 | Skjelstad, Bastian Bjerkem | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2TZVP | -4612.69942223; Eh | |||
 | 12-Oct-2022 | /intermediates_pcm G9_PCM | Skjelstad, Bastian Bjerkem | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RPBEPBE | DEF2TZVP | -4612.9359687; Eh | |||
 | 12-Oct-2022 | /transition_states TS_G9_G0 | Skjelstad, Bastian Bjerkem | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2TZVP | -4612.69820071; Eh | |||
 | 12-Oct-2022 | /intermediates_pcm G75_PCM | Skjelstad, Bastian Bjerkem | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RPBEPBE | DEF2TZVP | -4612.8909777; Eh | |||
 | 12-Oct-2022 | /intermediates_pcm G41_PCM | Skjelstad, Bastian Bjerkem | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RPBEPBE | DEF2TZVP | -4612.9151158; Eh | |||
 | 12-Oct-2022 | /intermediates G15 | Skjelstad, Bastian Bjerkem | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Structure | RPBEPBE | DEF2SVP DEF2TZVP | -4612.68775951; Eh |
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