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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 18-Mar-2019 | Adduct_TBD | Artus Suarez, Lluis | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RM06 | 6-31+G** | -2044.23602411; Eh | |||
 | 28-Aug-2021 | Cr_32a_35_O5b | Craig, Michael | Gaussian; 09; EM64L-G09RevA.02 | Single point Structure | - | 6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) | -1313.24943609; Eh | |||
 | 28-Aug-2021 | Mn_31a_24_O5 | Craig, Michael | Gaussian; 09; ES64L-G09RevE.01 | Single point Structure | - | 6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) | -1358.90393825; Eh | |||
 | 27-Aug-2021 | Fe_pbp_3_VAC_HS_calcfc | Craig, Michael | Gaussian; 09; ES64L-G09RevE.01 | Single point Structure | - | 6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) | -1661.26629945; Eh | |||
 | 4-Oct-2021 | /dnppe_system C-D-TS-dnppe_oss | Nelson, David | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | UM06 | 6-311+G(D,P) GENECP | -4221.5295523; Eh | |||
 | 4-Oct-2021 | /dnppe_system C-D-TS-dnppe_triplet | Nelson, David | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | UM06 | 6-311+G(D,P) GENECP | -4221.5153525; Eh | |||
 | 4-Oct-2021 | /dnppe_system D-dnppe_triplet | Nelson, David | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | UM06 | 6-311+G(D,P) GENECP | -4221.5291114; Eh | |||
 | 4-Oct-2021 | /dnppe_system D-dnppe_oss | Nelson, David | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | UM06 | 6-311+G(D,P) GENECP | -4221.5307747; Eh | |||
 | 4-Oct-2021 | /dnppe_system B-dnppe | Nelson, David | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RM06 | 6-311+G(D,P) GENECP | -3978.6451592; Eh | |||
 | 4-Oct-2021 | /dnppe_system C-dnppe | Nelson, David | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RM06 | 6-311+G(D,P) GENECP | -4221.5454238; Eh |
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