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Item hits:
Preview | Title | Author(s) | Program | Method(s) | Basis Set | Energy | Solv. | Vibr. |
---|---|---|---|---|---|---|---|---|
/ANIONIC/TS 2a2pin-aduct | Maza Quiroga, Ricardo José | Gaussian; 16; ES64L-G16RevA.03 | RwB97XD | LANL2DZ 6-31G(D,P) GENECP | -953.476396803; Eh | |||
/ANIONIC/TS 2a2pin-TS | Maza Quiroga, Ricardo José | Gaussian; 16; ES64L-G16RevA.03 | RwB97XD | LANL2DZ 6-31G(D,P) GENECP | -953.462619255; Eh |
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