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Showing results 193016 to 193035 of 194018 < previous   next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg29-Oct-2019H6PtW6O24(3e_3H)-OLang, ZhonglingGaussian; 09; ES64L-G09RevD.01Geometry optimization MinimumUM066-31G(D) 6-31G(D,P) LANL2DZ GEN-2337.27907128; Eh
thumbnail.jpeg1-Nov-2019H6PtW6O24(3e_3H)-OLang, ZhonglingGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUM066-31G(D) 6-31G(D,P) LANL2DZ GEN-2337.27501553; Eh
thumbnail.jpeg29-Oct-2019H6PtW6O24(3e_3H)-PtLang, ZhonglingGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUM066-31G(D) 6-31G(D,P) LANL2DZ GEN-2337.27899309; Eh
thumbnail.jpeg12-Nov-2019H6PtW6O24(3e_3H-O)Lang, ZhonglingGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUM066-31G(D) 6-31G(D,P) LANL2DZ GEN-2337.27501553; Eh
thumbnail.jpeg12-Nov-2019H6PtW6O24(3e_3H-Pt)Lang, ZhonglingGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUM066-31G(D) 6-31G(D,P) LANL2DZ GEN-2337.27899309; Eh
thumbnail.jpeg1-Nov-2019H6PtW6O24(4e_4H)-OLang, ZhonglingGaussian; 09; ES64L-G09RevD.01Geometry optimization MinimumUM066-31G(D) 6-31G(D,P) LANL2DZ GEN-2337.81974956; Eh
thumbnail.jpeg1-Nov-2019H6PtW6O24(4e_4H)-PtLang, ZhonglingGaussian; 09; ES64L-G09RevD.01Geometry optimization MinimumUM066-31G(D) 6-31G(D,P) LANL2DZ GEN-2337.82414427; Eh
thumbnail.jpeg12-Nov-2019H6PtW6O24(4e_4H-O)Lang, ZhonglingGaussian; 09; ES64L-G09RevD.01Geometry optimization MinimumUM066-31G(D) 6-31G(D,P) LANL2DZ GEN-2337.81974956; Eh
thumbnail.jpeg12-Nov-2019H6PtW6O24(4e_4H-Pt)Lang, ZhonglingGaussian; 09; ES64L-G09RevD.01Geometry optimization MinimumUM066-31G(D) 6-31G(D,P) LANL2DZ GEN-2337.82414427; Eh
thumbnail.jpeg24-Jun-2019HemiaminalArtus Suarez, LluisGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM066-31+G** GEN-441.149351664; Eh
thumbnail.jpeg4-Jun-2018Hemiaminal_DMFArtus Suarez, LluisGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM066-31+G**-249.547772242; Eh
thumbnail.jpeg4-Jun-2018Hemiaminal_FArtus Suarez, LluisGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM066-31+G**-401.881982428; Eh
thumbnail.jpeg7-Oct-2019HgF2(100)_KNbO3(001)Amaya Suárez, Javiervasp; 5.3.5; 31Mar14 (build Jun 1 2014 07:54:15) complexSingle pointDFT--84.13509781; eV
thumbnail.jpeg10-Sep-2019HNO3Bandeira, NunoOrca; 4.0.1; RELEASEGeometry optimizationRI-MP2AutoAux; ZORA-def2-TZVP-279.86594076; Eh
thumbnail.jpeg24-Jun-2019Hydride_transferArtus Suarez, LluisGaussian; 09; ES64L-G09RevD.01Geometry optimization TSRM066-31+G** GENECP-1940.40828088; Eh
thumbnail.jpeg14-Jan-2019i1Galvao, TiagoGaussian; 09; ES64L-G09RevD.01Single point StructureRM062X--
thumbnail.jpeg15-Jan-2019i1Galvao, TiagoGaussian; 09; ES64L-G09RevD.01Single point StructureRM062X--
thumbnail.jpeg15-Jan-2019i10Galvao, TiagoGaussian; 09; ES64L-G09RevD.01Single point StructureRM062X--
thumbnail.jpeg15-Jan-2019i100Galvao, TiagoGaussian; 09; ES64L-G09RevD.01Single point StructureRM062X--
thumbnail.jpeg15-Jan-2019i101Galvao, TiagoGaussian; 09; ES64L-G09RevD.01Single point StructureRM062X--