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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_Methyl_MePhenol | Artus Suarez, Lluis | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RM06 | 6-31+G** | -2030.84011552; Eh | |||
 | 18-Mar-2019 | Adduct_triphenylguanidine | Artus Suarez, Lluis | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RM06 | 6-31+G** | -2503.60873435; Eh | |||
 | 18-Mar-2019 | Adduct_formanilide_ON | Artus Suarez, Lluis | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RM06 | 6-31+G** | -2006.40091564; Eh | |||
 | 18-Mar-2019 | Adduct_urea_NO | Artus Suarez, Lluis | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RM06 | 6-31+G** | -1830.86216086; Eh | |||
 | 18-Mar-2019 | Adduct_urea_ON | Artus Suarez, Lluis | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RM06 | 6-31+G** | -1830.87583648; Eh | |||
 | 18-Mar-2019 | Adduct_triphenylguanidine_2 | Artus Suarez, Lluis | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RM06 | 6-31+G** | -2503.60792561; 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 | |||
 | 4-Oct-2021 | /dnppe_system A-dnppe | Nelson, David | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RM06 | 6-311+G(D,P) GENECP | -3978.6809412; Eh | |||
 | 4-Oct-2021 | /P2BMe24_system F-E-TS-P2BMe24 | Nelson, David | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RM06 | 6-311+G(D,P) GENECP | -3402.4705226; Eh |
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