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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required30-Mar-2026Rh37Schmidtke, Inga Lena; Nova, AinaraGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRM06DEF2SVP DEF2TZVP-3242.334233; Eh
Login required30-Mar-2026Rh34Schmidtke, Inga Lena; Nova, AinaraGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRM06DEF2SVP DEF2TZVP-3242.3403713; Eh
Login required30-Mar-2026Rh32Schmidtke, Inga Lena; Nova, AinaraGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRM06DEF2SVP DEF2TZVP-2340.4001529; Eh
Login required30-Mar-2026Rh33Schmidtke, Inga Lena; Nova, AinaraGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRM06DEF2SVP DEF2TZVP-2340.3972809; Eh
Login required30-Mar-2026Rh28Schmidtke, Inga Lena; Nova, AinaraGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRM06DEF2SVP DEF2TZVP-2722.6796188; Eh
Login required30-Mar-2026Rh31Schmidtke, Inga Lena; Nova, AinaraGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRM06DEF2SVP DEF2TZVP-2261.8187823; Eh
Login required30-Mar-2026Rh30Schmidtke, Inga Lena; Nova, AinaraGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRM06DEF2SVP DEF2TZVP-2261.8214563; Eh
thumbnail.jpeg1-Apr-2026/EEE-GGPP isomer calculations Monocycle-Bicycle TS IRCf product: bicycle intermediateTorrence, IanGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRmPW1PW916-31+G(D,P)-1298.98643800; Eh
thumbnail.jpeg1-Apr-2026/EEE-GGPP isomer calculations GGPP-Bicycle TS IRCf product: bicycle intermediateTorrence, IanGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRmPW1PW916-31+G(D,P)-1298.98436811; Eh
thumbnail.jpeg1-Apr-2026/EZE-GGPP isomer calculations GGPP-Monocycle TS1 IRCr product: GGPPTorrence, IanGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRmPW1PW916-31+G(D,P)-1298.96019357; Eh
Results 392911-392920 of 397899 (Search time: 0.233 seconds).