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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required8-Jun-2026/Radical Abstractions/HAT/Boryl_Radical TS_HAT2Funes, Ignacio; Sampedro, Diego; Sanosa, NilGaussian; 16; ES64L-G16RevC.02Geometry optimization TSwB97xDDEF2SVP-813.859381703; Eh
Login required8-Jun-2026/Marcus_Theory/EnT/Landa_R S_B2_rwFunes, Ignacio; Sampedro, Diego; Sanosa, NilGaussian; 16; ES64L-G16RevC.02Single point StructurewB97xDDEF2SVP-540.036162; Eh
Login required8-Jun-2026/Radical Abstractions/HAT/Boryl_Radical B2Funes, Ignacio; Sampedro, Diego; Sanosa, NilGaussian; 16; ES64L-G16RevC.02Geometry optimization MinimumwB97xDDEF2SVP-318.771200262; Eh
Login required8-Jun-2026/Radical Abstractions/HAT/Boryl_Radical B1Funes, Ignacio; Sampedro, Diego; Sanosa, NilGaussian; 16; ES64L-G16RevC.02Geometry optimization MinimumwB97xDDEF2SVP-318.102340654; Eh
Login required8-Jun-2026/Marcus_Theory/EnT BP_SFunes, Ignacio; Sampedro, Diego; Sanosa, NilGaussian; 16; ES64L-G16RevC.02Geometry optimization MinimumwB97xDDEF2SVP-576.030193821; Eh
Login required8-Jun-2026/Marcus_Theory/EnT BP_TFunes, Ignacio; Sampedro, Diego; Sanosa, NilGaussian; 16; ES64L-G16RevC.02Geometry optimization MinimumwB97xDDEF2SVP-575.919411289; Eh
Login required8-Jun-2026/Marcus_Theory/EnT ZFunes, Ignacio; Sampedro, Diego; Sanosa, NilGaussian; 16; ES64L-G16RevC.02Geometry optimization MinimumwB97xDDEF2SVP-540.137886355; Eh
Login required27-Jun-20242EG_SPvon Wolff, NiklasGaussian; 16; ES64L-G16RevC.02Single point StructureRPBE1PBEDEF2TZVP-228.8962565; Eh
Login required27-Jun-20243PrOHvon Wolff, NiklasGaussian; 16; ES64L-G16RevC.02Geometry optimization MinimumRBP86DEF2SVP DEF2SVP/W06-387.228767428; Eh
Results 397421-397430 of 397867 (Search time: 0.226 seconds).