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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required9-Sep-2024Product_2a_Nuñez, GonzaloGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRwB97XD6-31G(D,P) GENECP-968.788328845; Eh
Login required9-Sep-2024/Mecanism_Fig_1 TS_V-VINuñez, GonzaloGaussian; 16; ES64L-G16RevA.03Geometry optimization TSRwB97XD6-31G(D,P) GENECP-2772.40594491; Eh
Login required9-Sep-2024NFSI-KNuñez, GonzaloGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRwB97XD6-31G(D,P) GENECP-2214.90011040; Eh
Login required9-Sep-2024NFSINuñez, GonzaloGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRwB97XD6-31G(D,P) GENECP-1714.63168024; Eh
Login required9-Sep-2024/Mecanism_Fig_1 TS_II-IVNuñez, GonzaloGaussian; 16; ES64L-G16RevA.03Geometry optimization TSRwB97XDSDD 6-31G(D,P) GENECP-2772.39721112; Eh
Login required9-Sep-2024/Mecanism_Fig_1 TS_VII-VIIINuñez, GonzaloGaussian; 16; ES64L-G16RevA.03Geometry optimization TSRwB97XD6-31G(D,P) GENECP-2448.01217042; Eh
Login required9-Sep-2024/Mecanism_Fig_1 Int_VIIINuñez, GonzaloGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRwB97XDSDD 6-31G(D,P) GENECP-1568.14120615; Eh
Login required9-Sep-2024/Mecanism_Fig_1 Int_VIINuñez, GonzaloGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRwB97XD6-31G(D,P) GENECP-2448.01232299; Eh
Login required9-Sep-2024/Mecanism_Fig_1 Int_VINuñez, GonzaloGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRwB97XD6-31G(D,P) GENECP-1748.24205410; Eh
Login required9-Sep-2024/Mecanism_Fig_2 TS_III-2a_Nuñez, GonzaloGaussian; 16; ES64L-G16RevA.03Geometry optimization TSRwB97XDSDD 6-31G(D,P) GENECP-1992.95105680; Eh
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