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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 14-Feb-2023 | CAM-B3LYP_complex_l132 | Escayola, Silvia | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RCAM-B3LYP | LANL2DZ DEF2TZVP GEN | -2434.5357922; Eh | |||
 | 14-Feb-2023 | CAM-B3LYP_complex_l95 | Escayola, Silvia | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RCAM-B3LYP | LANL2DZ DEF2TZVP GEN | -2355.9078095; Eh | |||
 | 21-Mar-2023 | /GROUP_B/Singlet 14-Pyridine_anion(4-C-1) | Escayola, Silvia | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | RCAM-B3LYP | 6-311+G(D,P) | -247.5790702; Eh | |||
 | 21-Mar-2023 | /GROUP_B/Singlet 11-1,3-Azaphosphinine | Escayola, Silvia | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | RCAM-B3LYP | 6-311+G(D,P) | -550.8630972; Eh | |||
 | 21-Mar-2023 | /GROUP_B/Singlet 12-1,4-Azaphosphinine | Escayola, Silvia | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | RCAM-B3LYP | 6-311+G(D,P) | -550.8665716; Eh | |||
 | 21-Mar-2023 | /GROUP_B/Singlet 13-1,4-Oxazin-1-ium | Escayola, Silvia | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | RCAM-B3LYP | 6-311+G(D,P) | -284.4128353; Eh | |||
 | 21-Mar-2023 | /GROUP_B/Singlet 15-1,4-Dioxindiium | Escayola, Silvia | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | RCAM-B3LYP | 6-311+G(D,P) | -304.362809; Eh | |||
 | 21-Mar-2023 | /GROUP_B/Singlet 16-1,3-Dioxindiium | Escayola, Silvia | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | RCAM-B3LYP | 6-311+G(D,P) | -304.362809; Eh | |||
 | 21-Mar-2023 | /GROUP_B/Singlet 10-1,2-Azaphosphinine | Escayola, Silvia | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | RCAM-B3LYP | 6-311+G(D,P) | -550.8724745; Eh | |||
 | 21-Mar-2023 | /GROUP_B/Singlet 8-Pyrimidine | Escayola, Silvia | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | RCAM-B3LYP | 6-311+G(D,P) | -264.2589063; Eh |
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