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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required1-Aug-2026/9-halophenanthrenes/NHC VI''Rodríguez Sugranyes, ArnauGaussian; 09; EM64L-G09RevD.01Geometry optimization Minimum-DEF2TZVP-3631.68555736; Eh
Login required1-Aug-2026/9-halophenanthrenes/NHC TS(VI''-IV'')Rodríguez Sugranyes, ArnauGaussian; 09; EM64L-G09RevD.01Geometry optimization Minimumnosymm; m06DEF2TZVP-3631.67261158; Eh
Login required1-Aug-2026/9-halophenanthrenes/PMe3 III'Rodríguez Sugranyes, ArnauGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumnosymmDEF2TZVP-3788.03477143; Eh
Login required1-Aug-2026/9-halophenanthrenes/PMe3 IV'Rodríguez Sugranyes, ArnauGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumnosymmDEF2TZVP-3788.08165218; Eh
Login required1-Aug-2026/9-halophenanthrenes/PMe3 I'Rodríguez Sugranyes, ArnauGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumnosymmDEF2TZVP-3788.00533633; Eh
Login required1-Aug-2026/9-halophenanthrenes/PMe3 TS(I'-II')Rodríguez Sugranyes, ArnauGaussian; 09; EM64L-G09RevD.01Geometry optimization TS-DEF2TZVP-3787.97163747; Eh
Login required1-Aug-2026/9-halophenanthrenes/NHC TS(V''-VI'')Rodríguez Sugranyes, ArnauGaussian; 09; EM64L-G09RevD.01Geometry optimization TS-DEF2TZVP-3631.66056037; Eh
Login required1-Aug-2026/9-halophenanthrenes/NHC TS(I''-V'')Rodríguez Sugranyes, ArnauGaussian; 09; EM64L-G09RevD.01Geometry optimization TS-DEF2TZVP-3631.64867881; Eh
Login required1-Aug-2026/9-halophenanthrenes/PMe3 VI'Rodríguez Sugranyes, ArnauGaussian; 09; EM64L-G09RevD.01Geometry optimization Minimum-DEF2TZVP-3788.00541454; Eh
Login required1-Aug-2026/9-halophenanthrenes/PMe3 II'Rodríguez Sugranyes, ArnauGaussian; 09; EM64L-G09RevD.01Geometry optimization Minimum-DEF2TZVP-3787.99672037; Eh
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