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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg9-Nov-2022/enamine/DCM INT1c_DCMGuo, WentaoGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRM062X6-31G(D)-1885.62949465; Eh
thumbnail.jpeg1-Jul-2022/Complexes 2d-3Ortuño Maqueda, Manuel AngelGaussian; 16; ES64L-G16RevC.01Single point StructureRM062X6-31G** 6-31+G* GEN-1852.31765318; Eh
thumbnail.jpeg20-Jan-202110_-HydroxyusambarensineSemenov, ValentinGaussian; 09; IA32W-G09RevA.02Geometry optimization MinimumRM062XCC-PVTZ AUG-CC-PVTZ GEN-1416.14601340; Eh
thumbnail.jpeg20-Jan-2021MatopensineSemenov, ValentinGaussian; 09; IA32W-G09RevA.02Geometry optimization MinimumRM062XCC-PVQZ AUG-CC-PVQZ GEN-1767.52072523; Eh
thumbnail.jpeg20-Jan-2021SarachineSemenov, ValentinGaussian; 09; IA32W-G09RevA.02Geometry optimization MinimumRM062XCC-PVQZ AUG-CC-PVQZ GEN-1166.07214254; Eh
thumbnail.jpeg20-Jan-2021Trioxacarcin_DSemenov, ValentinGaussian; 09; IA32W-G09RevA.02Geometry optimization MinimumRM062XCC-PVQZ AUG-CC-PVQZ GEN-2944.39250460; Eh
thumbnail.jpeg20-Jan-2021Ellagic_acidSemenov, ValentinGaussian; 09; IA32W-G09RevA.02Geometry optimization MinimumRM062XCC-PVQZ AUG-CC-PVQZ GEN-1139.05123549; Eh
thumbnail.jpeg1-Jul-2022/Complexes 2d-2Ortuño Maqueda, Manuel AngelGaussian; 16; ES64L-G16RevC.01Single point StructureRM062X6-31G** 6-31+G* GEN-1619.95176955; Eh
thumbnail.jpeg1-Jul-2022THFOrtuño Maqueda, Manuel AngelGaussian; 16; ES64L-G16RevC.01Single point MinimumRM062X6-31G** 6-31+G* GEN-232.354615349; Eh
thumbnail.jpeg20-Jan-2021Korundamine_ASemenov, ValentinGaussian; 09; IA32W-G09RevA.02Geometry optimization MinimumRM062XCC-PVTZ AUG-CC-PVTZ GEN-2531.17040365; Eh
Results 31-40 of 1082 (Search time: 0.002 seconds).