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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg20-Jan-2021Neoquassin_etherSemenov, ValentinGaussian; 09; IA32W-G09RevA.02Geometry optimization MinimumRM062XCC-PVTZ AUG-CC-PVTZ GEN-2538.93119220; Eh
thumbnail.jpeg20-Jan-2021Trioxacarcin_DSemenov, ValentinGaussian; 09; IA32W-G09RevA.02Geometry optimization MinimumRM062XCC-PVQZ AUG-CC-PVQZ GEN-2944.39250460; Eh
thumbnail.jpeg20-Jan-2021Domesticulide_BSemenov, ValentinGaussian; 09; IA32W-G09RevA.02Geometry optimization MinimumRM062XCC-PVQZ AUG-CC-PVQZ GEN-1803.83653867; Eh
thumbnail.jpeg20-Jan-2021OxojatrophadieneSemenov, ValentinGaussian; 09; IA32W-G09RevA.02Geometry optimization MinimumRM062XCC-PVQZ AUG-CC-PVQZ GEN-2415.67970973; Eh
thumbnail.jpeg20-Jan-2021Ellagic_acidSemenov, ValentinGaussian; 09; IA32W-G09RevA.02Geometry optimization MinimumRM062XCC-PVQZ AUG-CC-PVQZ GEN-1139.05123549; Eh
thumbnail.jpeg20-Jan-2021CycleanineSemenov, ValentinGaussian; 09; IA32W-G09RevA.02Geometry optimization MinimumRM062XCC-PVQZ AUG-CC-PVQZ GEN-2034.15170065; Eh
thumbnail.jpeg20-Jan-2021SarachineSemenov, ValentinGaussian; 09; IA32W-G09RevA.02Geometry optimization MinimumRM062XCC-PVQZ AUG-CC-PVQZ GEN-1166.07214254; Eh
thumbnail.jpeg20-Jan-2021QuinineSemenov, ValentinGaussian; 09; IA32W-G09RevA.02Geometry optimization MinimumRM062XCC-PVQZ AUG-CC-PVQZ GEN-1036.51136628; Eh
thumbnail.jpeg20-Jan-2021VertineSemenov, ValentinGaussian; 09; IA32W-G09RevA.02Geometry optimization MinimumRM062XCC-PVTZ AUG-CC-PVTZ GEN-1439.04368316; Eh
thumbnail.jpeg20-Jan-2021MatopensineSemenov, ValentinGaussian; 09; IA32W-G09RevA.02Geometry optimization MinimumRM062XCC-PVQZ AUG-CC-PVQZ GEN-1767.52072523; Eh
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