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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg14-Jun-2021/Reaction_Intermediates_Transition_States A2_to_A4_TSHaack, AlexanderGaussian; 16; ES64L-G16RevC.01Geometry optimization TSRB3LYP; RCCSD6-311++G(D,P)-466.526693; Eh
thumbnail.jpeg14-Jun-2021/Reaction_Intermediates_Transition_States A1_to_94_TSHaack, AlexanderGaussian; 16; ES64L-G16RevC.01Geometry optimization TSRB3LYP; RCCSD6-311++G(D,P)-466.4848231; Eh
thumbnail.jpeg14-Jun-2021/Reaction_Intermediates_Transition_States A4_to_94_TSHaack, AlexanderGaussian; 16; ES64L-G16RevC.01Geometry optimization TSRB3LYP; RCCSD6-311++G(D,P)-466.527375; Eh
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