| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
 | 16-Feb-2026 | /TS2/ORCA_wB97XD3-gas_optimisation-frequencies_of_Int-1 Int-1 | Dell'Amico, Luca; Krishnan, Chandu; Serapian, Stefano A.; Cormier, Gabriel; Bortolus, Marco | Orca; 5.0.4; RELEASE | Geometry optimization Minimum | DFT | - | -2314.45426290; Eh | | | |
 | 16-Feb-2026 | /TS3/IRC ts3_wB97XD_def2svp_SMD-DCM_irc | Dell'Amico, Luca; Krishnan, Chandu; Serapian, Stefano A.; Cormier, Gabriel; Bortolus, Marco | Gaussian; 16; ES64L-G16RevC.02 | Single point Structure | - | DEF2SVP | -1395.05866534; Eh | | | |
 | 16-Feb-2026 | /Int-1/beta-dissociation-tests relaxed_scan | Dell'Amico, Luca; Krishnan, Chandu; Serapian, Stefano A.; Cormier, Gabriel; Bortolus, Marco | Gaussian; 16; ES64L-G16RevC.02 | Single point Structure | - | DEF2SVP | -2314.51326580; Eh | | | |
 | 18-Feb-2026 | /KOtBu_CH_abs_pathway K4Ot-Bu3OCMe2CH2_Me-CHabs_product_opt | Murphy, John; Tuttle, Tell; Robertson, Craig; Nelson, David; Clark, Kenneth; Tyerman, Seb; Stewart, Alexander; Evans, Laura; Kennedy, Alan; Kolodziejczak, Krystian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | UM062X | 6-311++G(D,P) | -3331.47362879; Eh | | | |
 | 18-Feb-2026 | /KOtBu_CH_abs_pathway K4Ot-Bu3OCMe2CH2_Me-loss_product_opt | Murphy, John; Tuttle, Tell; Robertson, Craig; Nelson, David; Clark, Kenneth; Tyerman, Seb; Stewart, Alexander; Evans, Laura; Kennedy, Alan; Kolodziejczak, Krystian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | UM062X | 6-311++G(D,P) | -3331.45695566; Eh | | | |
 | 18-Feb-2026 | /KOtBu_CH_abs_pathway K4Ot-Bu3OCMe2CH2_Me-CHabs_ts_opt | Murphy, John; Tuttle, Tell; Robertson, Craig; Nelson, David; Clark, Kenneth; Tyerman, Seb; Stewart, Alexander; Evans, Laura; Kennedy, Alan; Kolodziejczak, Krystian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | UM062X | 6-311++G(D,P) | -3331.43128953; Eh | | | |
 | 18-Feb-2026 | /KOtBu_CH_abs_pathway K4Ot-Bu3OCMe2CH2_Me-CHabs_product_sp | Murphy, John; Tuttle, Tell; Robertson, Craig; Nelson, David; Clark, Kenneth; Tyerman, Seb; Stewart, Alexander; Evans, Laura; Kennedy, Alan; Kolodziejczak, Krystian | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | UM062X | GENECP | -3331.6969374; Eh | | | |
 | 18-Feb-2026 | /KOtBu_CH_abs_pathway K4Ot-Bu3OCMe2CH2_Me-loss_product_sp | Murphy, John; Tuttle, Tell; Robertson, Craig; Nelson, David; Clark, Kenneth; Tyerman, Seb; Stewart, Alexander; Evans, Laura; Kennedy, Alan; Kolodziejczak, Krystian | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | UM062X | GENECP | -3331.6799764; Eh | | | |
 | 18-Feb-2026 | /KOtBu_CH_abs_pathway K4Ot-Bu3OCMe2CH2_Me-CHabs_ts_sp | Murphy, John; Tuttle, Tell; Robertson, Craig; Nelson, David; Clark, Kenneth; Tyerman, Seb; Stewart, Alexander; Evans, Laura; Kennedy, Alan; Kolodziejczak, Krystian | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | UM062X | GENECP | -3331.6538883; Eh | | | |
 | 18-Feb-2026 | /KOtBu_CH_abs_pathway K4Ot-Bu3OCMe2CH2_Me-loss_ts_sp | Murphy, John; Tuttle, Tell; Robertson, Craig; Nelson, David; Clark, Kenneth; Tyerman, Seb; Stewart, Alexander; Evans, Laura; Kennedy, Alan; Kolodziejczak, Krystian | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | UM062X | GENECP | -3331.6514077; Eh | | | |
