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Showing results 192949 to 192968 of 193884 < previous   next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg29-Oct-2019H1PtW6O24Lang, ZhonglingGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM066-31G(D) 6-31G(D,P) LANL2DZ GEN-2333.11271789; Eh
thumbnail.jpeg12-Nov-2019H1PtW6O24Lang, ZhonglingGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM066-31G(D) 6-31G(D,P) LANL2DZ GEN-2333.11271789; Eh
thumbnail.jpeg24-Apr-2019H2Mates Torres, EricGaussian; 09; ES64L-G09RevE.01Geometry optimization MinimumRwB97XD6-31g(d,p)-1.17238365019; Eh
Login required3-May-2019H2Craig, MichaelGaussian; 09; ES64L-G09RevE.01Geometry optimization MinimumRTPSSh6-31g(d,p)-1.17503497611; Eh
thumbnail.jpeg24-Jun-2019H2Artus Suarez, LluisGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM066-31+G** GEN-1.16908755242; Eh
thumbnail.jpeg4-Jun-2018H2Artus Suarez, LluisGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM066-31+G**-1.16903935556; Eh
thumbnail.jpeg24-Jun-2019H2-1atmArtus Suarez, LluisGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM066-31+G** GEN-1.16908755242; Eh
thumbnail.jpeg12-Nov-2019H2-from-_H6PtW6O24__3e_3H(Pt)Lang, ZhonglingGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUM066-31G(D) 6-31G(D,P) LANL2DZ GEN-2337.26968539; Eh
thumbnail.jpeg29-Oct-2019H2-from-H6PtW6O24(2e_2H)Lang, ZhonglingGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM066-31G(D) 6-31G(D,P) LANL2DZ GEN-2336.64659385; Eh
thumbnail.jpeg29-Oct-2019H2-from-H6PtW6O24(3e_3H)Lang, ZhonglingGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUM066-31G(D) 6-31G(D,P) LANL2DZ GEN-2337.26968539; Eh
thumbnail.jpeg12-Nov-2019H2-S1-from-_H6PtW6O24_4e_4H(Pt)Lang, ZhonglingGaussian; 09; ES64L-G09RevD.01Geometry optimization MinimumRM066-31G(D) 6-31G(D,P) LANL2DZ GEN-2337.88047457; Eh
thumbnail.jpeg29-Oct-2019H2-S1-from-H6PtW6O24(4e_4H)Lang, ZhonglingGaussian; 09; ES64L-G09RevD.01Geometry optimization MinimumRM066-31G(D) 6-31G(D,P) LANL2DZ GEN-2337.88047457; Eh
thumbnail.jpeg12-Nov-2019H2-S3-from-_H6PtW6O24_4e_4H(Pt)Lang, ZhonglingGaussian; 09; ES64L-G09RevD.01Geometry optimization MinimumUM066-31G(D) 6-31G(D,P) LANL2DZ GEN-2337.86196562; Eh
thumbnail.jpeg29-Oct-2019H2-S3-from-H6PtW6O24(4e_4H)Lang, ZhonglingGaussian; 09; ES64L-G09RevD.01Geometry optimization MinimumUM066-31G(D) 6-31G(D,P) LANL2DZ GEN-2337.86196562; Eh
thumbnail.jpeg24-Apr-2019H2OMates Torres, EricGaussian; 09; ES64L-G09RevE.01Geometry optimization MinimumRwB97XD6-31+g(d,p); 6-31g(d,p)-76.4231761204; Eh
thumbnail.jpeg10-Sep-2019H2OBandeira, NunoOrca; 4.0.1; RELEASEGeometry optimizationRI-MP2AutoAux; ZORA-def2-TZVP-76.14488511; Eh
Login required3-May-2019H2OCraig, MichaelGaussian; 09; ES64L-G09RevE.01Geometry optimization MinimumRTPSSh6-31g(d,p); 6-31+g(d)-76.4395127217; Eh
thumbnail.jpeg24-Apr-2019H2O2Mates Torres, EricGaussian; 09; ES64L-G09RevE.01Geometry optimization MinimumRwB97XD6-31+g(d,p); 6-31g(d,p)-151.520405169; Eh
thumbnail.jpeg29-Oct-2019H2PtW6O24Lang, ZhonglingGaussian; 09; ES64L-G09RevD.01Geometry optimization MinimumRM066-31G(D) 6-31G(D,P) LANL2DZ GEN-2333.61813970; Eh
thumbnail.jpeg12-Nov-2019H2PtW6O24Lang, ZhonglingGaussian; 09; ES64L-G09RevD.01Geometry optimization MinimumRM066-31G(D) 6-31G(D,P) LANL2DZ GEN-2333.61813970; Eh