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Browsing by Author Garcia Melchor, Max

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Showing results 1 to 20 of 40  next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg28-Apr-20202Garcia Melchor, MaxGaussian; 09; AM64L-G09RevA.02Geometry optimization MinimumRwB97XDSDD 6-31G(D) 6-31+G(D) 6-31G(D,P) GEN-1915.55268078; Eh
Login required29-Mar-2020AsPh3Garcia Melchor, MaxGaussian; 09; AS64L-G09RevD.01Geometry optimization MinimumRwB97XD6-31G(D) 6-31G(D,P) GEN-2928.15410364; Eh
Login required29-Mar-2020Au-Cl-2AsPh3Garcia Melchor, MaxGaussian; 09; ES64L-G09RevE.01Geometry optimization MinimumRwB97XDLANL2DZ 6-31G(D) 6-31G(D,P) 6-31+G(D) GEN-6452.06839761; Eh
Login required29-Mar-2020Au-Cl-AsPh3Garcia Melchor, MaxGaussian; 09; ES64L-G09RevE.01Geometry optimization MinimumRwB97XDLANL2DZ 6-31G(D) 6-31G(D,P) 6-31+G(D) GEN-3523.88608685; Eh
Login required29-Mar-2020Au-Rf-AsPh3Garcia Melchor, MaxGaussian; 09; ES64L-G09RevE.01Geometry optimization MinimumRwB97XDLANL2DZ 6-31G(D) 6-31G(D,P) 6-31+G(D) GEN-4512.02057291; Eh
thumbnail.jpeg28-Apr-2020BH_act-productGarcia Melchor, MaxGaussian; 09; EM64L-G09RevA.02Geometry optimization MinimumRwB97XDSDD 6-31G(D) 6-31+G(D) 6-31G(D,P) GEN-1915.47989404; Eh
thumbnail.jpeg28-Apr-2020Co-cat-pyGarcia Melchor, MaxGaussian; 09; EM64L-G09RevA.02Geometry optimization MinimumRwB97XDSDD 6-31G(D) 6-31+G(D) 6-31G(D,P) GEN-2080.52560483; Eh
thumbnail.jpeg28-Apr-2020H2Garcia Melchor, MaxGaussian; 09; EM64L-G09RevA.02Geometry optimization MinimumRwB97XD6-31G(D,P) GEN-1.17505517307; Eh
thumbnail.jpeg28-Apr-2020I1Garcia Melchor, MaxGaussian; 09; EM64L-G09RevA.02Geometry optimization MinimumRwB97XDSDD 6-31G(D) 6-31+G(D) 6-31G(D,P) GEN-1832.26161137; Eh
Login required29-Mar-2020I1-AsPh3Garcia Melchor, MaxGaussian; 09; ES64L-G09RevE.01Geometry optimization MinimumRwB97XDLANL2DZ 6-31G(D) 6-31G(D,P) 6-31+G(D) GEN-13979.7173623; Eh
Login required29-Mar-2020I1-noAsPh3Garcia Melchor, MaxGaussian; 09; ES64L-G09RevE.01Geometry optimization MinimumRwB97XDLANL2DZ 6-31G(D) 6-31G(D,P) 6-31+G(D) GEN-11051.5263912; Eh
thumbnail.jpeg28-Apr-2020I2Garcia Melchor, MaxGaussian; 09; ES64L-G09RevE.01Geometry optimization MinimumRwB97XDSDD 6-31G(D) 6-31+G(D) 6-31G(D,P) GEN-1915.50917216; Eh
Login required29-Mar-2020I2-AsPh3Garcia Melchor, MaxGaussian; 09; ES64L-G09RevE.01Geometry optimization MinimumRwB97XDLANL2DZ 6-31G(D) 6-31G(D,P) 6-31+G(D) GEN-13979.6995850; Eh
Login required29-Mar-2020I2-noAsPh3Garcia Melchor, MaxGaussian; 09; ES64L-G09RevE.01Geometry optimization MinimumRwB97XDLANL2DZ 6-31G(D) 6-31G(D,P) 6-31+G(D) GEN-11051.5135543; Eh
thumbnail.jpeg28-Apr-2020I3Garcia Melchor, MaxGaussian; 09; EM64L-G09RevA.02Geometry optimization MinimumRwB97XDSDD 6-31G(D) 6-31+G(D) 6-31G(D,P) GEN-1915.50648852; Eh
Login required29-Mar-2020I3-AsPh3Garcia Melchor, MaxGaussian; 09; ES64L-G09RevE.01Geometry optimization MinimumRwB97XDLANL2DZ 6-31G(D) 6-31G(D,P) 6-31+G(D) GEN-13979.7282909; Eh
Login required29-Mar-2020I3-noAsPh3Garcia Melchor, MaxGaussian; 09; ES64L-G09RevE.01Geometry optimization MinimumRwB97XDLANL2DZ 6-31G(D) 6-31G(D,P) 6-31+G(D) GEN-11051.5157718; Eh
thumbnail.jpeg28-Apr-2020I4Garcia Melchor, MaxGaussian; 09; ES64L-G09RevE.01Geometry optimization MinimumRwB97XDSDD 6-31G(D) 6-31+G(D) 6-31G(D,P) GEN-1998.73233367; Eh
Login required29-Mar-2020I4-noAsPh3Garcia Melchor, MaxGaussian; 09; ES64L-G09RevE.01Geometry optimization MinimumRwB97XDLANL2DZ 6-31G(D) 6-31G(D,P) 6-31+G(D) GEN-11051.5358839; Eh
thumbnail.jpeg28-Apr-2020I5Garcia Melchor, MaxGaussian; 09; ES64L-G09RevE.01Geometry optimization MinimumRwB97XDSDD 6-31G(D) 6-31+G(D) 6-31G(D,P) GEN-1916.70245683; Eh
Showing results 1 to 20 of 40  next >