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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg14-Oct-2021/STEP-B/MeOH A_Maza Quiroga, Ricardo JoséGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRwB97XD6-31G(D,P)-898.243857237; Eh
thumbnail.jpeg14-Oct-2021/STEP-A/iPrOH E-1-iPrOHMaza Quiroga, Ricardo JoséGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRwB97XD6-31G(D,P)-759.450973430; Eh
thumbnail.jpeg14-Oct-2021/STEP-A/MeOH ProductMaza Quiroga, Ricardo JoséGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRwB97XD6-31G(D,P)-720.133444936; Eh
thumbnail.jpeg14-Oct-2021/STEP-A/MeOH E-1Maza Quiroga, Ricardo JoséGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRwB97XD6-31G(D,P)-759.451277301; Eh
thumbnail.jpeg14-Oct-2021/STEP-A/MeOH B2neop2Maza Quiroga, Ricardo JoséGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRwB97XD6-31G(D,P)-743.714845263; Eh
Login required9-Sep-2024Product_2a_Nuñez, GonzaloGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRwB97XD6-31G(D,P) GENECP-968.788328845; 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
thumbnail.jpeg24-Jul-2024SiW12Solé-Daura, AlbertGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRwB97XDGEN-4114.99612714; Eh
Login required20-Mar-2025/MechanismA_Chloride I5-ClBru, GerardGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRwB97XDLANL2DZ 6-31G(D,P) GENECP-3774.77328080; Eh
Results 61-70 of 112 (Search time: 0.001 seconds).