Browsing by Subject Molecular dynamics

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Showing results 1 to 20 of 67  next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required13-Aug-2025/dft_calculations/electrostatic_field/no_field moved_-0_0882Bro-Jørgensen, William-Single pointDFTdef2-SVP-989.5332694692; Eh
Login required13-Aug-2025/dft_calculations/electrostatic_field/no_field moved_-0_235Bro-Jørgensen, William-Single pointDFTdef2-SVP-989.5319237131; Eh
Login required13-Aug-2025/dft_calculations/electrostatic_field/no_field moved_-0_382Bro-Jørgensen, William-Single pointDFTdef2-SVP-989.5301648265; Eh
Login required13-Aug-2025/dft_calculations/electrostatic_field/no_field moved_-0_529Bro-Jørgensen, William-Single pointDFTdef2-SVP-989.5282674481; Eh
Login required13-Aug-2025/dft_calculations/electrostatic_field/no_field moved_-0_676Bro-Jørgensen, William-Single pointDFTdef2-SVP-989.5263629675; Eh
Login required13-Aug-2025/dft_calculations/electrostatic_field/no_field moved_-0_824Bro-Jørgensen, William-Single pointDFTdef2-SVP-989.5246329770; Eh
Login required13-Aug-2025/dft_calculations/electrostatic_field/no_field moved_-0_971Bro-Jørgensen, William-Single pointDFTdef2-SVP-989.5231565422; 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_-1_26Bro-Jørgensen, William-Single pointDFTdef2-SVP-989.5207334110; 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_56Bro-Jørgensen, William-Single pointDFTdef2-SVP-989.5189601150; Eh
Login required13-Aug-2025/dft_calculations/electrostatic_field/no_field moved_-1_71Bro-Jørgensen, William-Single pointDFTdef2-SVP-989.5183006304; Eh
Login required13-Aug-2025/dft_calculations/electrostatic_field/no_field moved_-1_85Bro-Jørgensen, William-Single pointDFTdef2-SVP-989.5177515696; 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/electrostatic_field/no_field moved_0_0588Bro-Jørgensen, William-Single pointDFTdef2-SVP-989.5334223860; Eh
Login required13-Aug-2025/dft_calculations/electrostatic_field/no_field moved_0_206Bro-Jørgensen, William-Single pointDFTdef2-SVP-989.5312975686; Eh
Login required13-Aug-2025/dft_calculations/electrostatic_field/no_field moved_0_353Bro-Jørgensen, William-Single pointDFTdef2-SVP-989.5253241839; Eh
Login required13-Aug-2025/dft_calculations/electrostatic_field/no_field moved_0_5Bro-Jørgensen, William-Single pointDFTdef2-SVP-989.5128626630; Eh
Login required13-Aug-2025/dft_calculations/electrostatic_field/strong_field moved_-0_0882Bro-Jørgensen, William-Single pointDFTdef2-SVP-989.5445446371; Eh
Login required13-Aug-2025/dft_calculations/electrostatic_field/strong_field moved_-0_235Bro-Jørgensen, William-Single pointDFTdef2-SVP-989.5432646342; Eh