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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
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
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
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-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
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
Login required29-Mar-2020TS2-noAsPh3Garcia Melchor, MaxGaussian; 09; ES64L-G09RevE.01Geometry optimization TSRwB97XDLANL2DZ 6-31G(D) 6-31G(D,P) 6-31+G(D) GEN-11051.5121270; Eh
Login required29-Mar-2020TS1-noAsPh3Garcia Melchor, MaxGaussian; 09; ES64L-G09RevE.01Geometry optimization TSRwB97XDLANL2DZ 6-31G(D) 6-31G(D,P) 6-31+G(D) GEN-11051.5009392; Eh
Login required29-Mar-2020AsPh3Garcia Melchor, MaxGaussian; 09; AS64L-G09RevD.01Geometry optimization MinimumRwB97XD6-31G(D) 6-31G(D,P) GEN-2928.15410364; 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-2020I4Garcia Melchor, MaxGaussian; 09; ES64L-G09RevE.01Geometry optimization MinimumRwB97XDSDD 6-31G(D) 6-31+G(D) 6-31G(D,P) GEN-1998.73233367; Eh
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