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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 22-Nov-2022 | DMA_lpN_pi_star_NBO_standard_MN15_def2-SVP | Ahmed, Yusef | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RMN15 | DEF2SVP | -212.0895694; Eh | |||
 | 22-Nov-2022 | DMA_lpN_sigma_star_NBO_standard_MN15_def2-SVP | Ahmed, Yusef | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RMN15 | DEF2SVP | -213.3080996; Eh | |||
 | 21-Nov-2022 | DMA_lpN_pi_star_NBO_standard_MN15_def2-SVP | Ahmed, Yusef | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RMN15 | DEF2SVP | -212.0895694; Eh | |||
 | 5-Oct-2022 | /template-3/int1 14_FFIAOA | Fernandez, Gilberto | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RMN15 | DEF2TZVPP | -2498.1433152; Eh | |||
 | 5-Oct-2022 | /template-3/no_CN ts1_noCN_FFONOA | Fernandez, Gilberto | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RMN15 | GEN | -3057.99329800; Eh | |||
 | 5-Oct-2022 | /template-3/int2 9_FBINIA | Fernandez, Gilberto | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RMN15 | GEN | -3058.03037330; Eh | |||
 | 5-Oct-2022 | /sm template-1 | Fernandez, Gilberto | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RMN15 | DEF2TZVPP | -1952.22174; Eh | |||
 | 5-Oct-2022 | /sm template-2 | Fernandez, Gilberto | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RMN15 | DEF2TZVPP | -2030.7784887; Eh | |||
 | 9-Jun-2023 | /DCM_FES/G_AuIPrpropyne AuIPrpropyne_sp_dcm | Nelson, David | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RMN15 | GENECP | -1411.0605785; Eh | |||
 | 9-Jun-2023 | /HFIP_FES/HFIP hfip_sp | Nelson, David | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RMN15 | GENECP | -789.5039685; Eh |
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