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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 14-Nov-2023 | Precat_Pd_dimerCl2_cb | DeSnoo, William | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RPBE1PBE | DEF2SVP | -4704.15003967; Eh | |||
 | 14-Nov-2023 | IM4_PdClAllyl_cb | DeSnoo, William | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RPBE1PBE | DEF2SVP | -2699.77917324; Eh | |||
 | 14-Nov-2023 | Ph_NEt2 | DeSnoo, William | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RPBE1PBE | DEF2SVP | -560.510675016; Eh | |||
 | 14-Nov-2023 | Cl_HNEt3 | DeSnoo, William | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RPBE1PBE | DEF2SVP | -752.416150440; Eh | |||
 | 14-Nov-2023 | NEt3 | DeSnoo, William | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RPBE1PBE | DEF2SVP | -291.861529910; Eh | |||
 | 14-Nov-2023 | H2 | DeSnoo, William | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RPBE1PBE | DEF2SVP | -1.16399394397; Eh | |||
 | 14-Nov-2023 | IM3_ts_N_loss_hydrogenation_3_irc_opt | DeSnoo, William | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RPBE1PBE | DEF2SVP | -2453.77585517; Eh | |||
 | 14-Nov-2023 | R_PdCl2_sqpl | DeSnoo, William | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RPBE1PBE | DEF2SVP | -2812.01223637; Eh | |||
 | 14-Nov-2023 | IM2_from_deam | DeSnoo, William | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RPBE1PBE | DEF2SVP | -2452.62862475; Eh | |||
 | 14-Nov-2023 | HNEt2 | DeSnoo, William | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RPBE1PBE | DEF2SVP | -213.388747125; Eh |
Results 1-10 of 36 (Search time: 0.001 seconds).