1. University of Copenhagen

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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required13-Aug-2025/dft_calculations/electrostatic_field/strong_field moved_-1_26Bro-Jørgensen, William-Single pointDFTdef2-SVP-989.5324620092; Eh
Login required13-Aug-2025/dft_calculations/electrostatic_field/weak_field moved_-0_235Bro-Jørgensen, William-Single pointDFTdef2-SVP-989.5347579666; Eh
Login required13-Aug-2025/dft_calculations/electrostatic_field/weak_field moved_-0_676Bro-Jørgensen, William-Single pointDFTdef2-SVP-989.5292430157; Eh
Login required13-Aug-2025/dft_calculations/electrostatic_field/weak_field moved_-1_12Bro-Jørgensen, William-Single pointDFTdef2-SVP-989.5247866932; Eh
Login required13-Aug-2025/dft_calculations/electrostatic_field/no_field moved_-1_41Bro-Jørgensen, William-Single pointDFTdef2-SVP-989.5197605302; Eh
Login required13-Aug-2025/dft_calculations/electrostatic_field/no_field moved_-1_12Bro-Jørgensen, William-Single pointDFTdef2-SVP-989.5218672581; Eh
Login required13-Aug-2025/dft_calculations/electrostatic_field/no_field moved_-2_0Bro-Jørgensen, William-Single pointDFTdef2-SVP-989.5172947573; Eh
Login required13-Aug-2025/dft_calculations/gibbs_free_energy BSSE_bipyridinesBro-Jørgensen, William-Single pointDFT--990.7245971772; Eh
Login required13-Aug-2025/dft_calculations/electrostatic_field/strong_field moved_-1_56Bro-Jørgensen, William-Single pointDFTdef2-SVP-989.5307746087; Eh
Login required13-Aug-2025/dft_calculations/electrostatic_field/no_field moved_-0_0882Bro-Jørgensen, William-Single pointDFTdef2-SVP-989.5332694692; Eh
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