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1 to 10 of 2,790 Results
00_Force_Field_Topology_and_PDB_Files.rar
Aug 19, 2026 - Computational workflow: molecular dynamics and ECD calculations of Naproxen
RAR Archive - 8.9 KB - MD5: 2ef7594e040ee67e0137339b2f3abbfd
01_GROMACS_Files_and_Script.rar
Aug 19, 2026 - Computational workflow: molecular dynamics and ECD calculations of Naproxen
RAR Archive - 9.7 KB - MD5: d5cec21e7d39de165c94cb44516ccf8a
02_Solvation_Shell_Gaussian_Input_and_Scripts.rar
Aug 19, 2026 - Computational workflow: molecular dynamics and ECD calculations of Naproxen
RAR Archive - 10.4 KB - MD5: efb91d719b4e57951c7691b636d2499b
Read_me.txt
Aug 19, 2026 - Computational workflow: molecular dynamics and ECD calculations of Naproxen
Plain Text - 2.5 KB - MD5: e2cdab5b7fe33499e3f0fadb8b479492
Work_Flow_2.png
Work_Flow_2.png
Aug 19, 2026 - Computational workflow: molecular dynamics and ECD calculations of Naproxen
PNG Image - 203.1 KB - MD5: 830dcd9ed802b488d6ff0299f29cc0e6
Work_Flow.png
Work_Flow.png
Aug 19, 2026 - Computational workflow: molecular dynamics and ECD calculations of Naproxen
PNG Image - 65.9 KB - MD5: 3d8892a230e44c809c388ac8f697351f
01_NPX_WAT.rar
Aug 18, 2026 - Data of supplementary material: Cluster structures of neutral naproxen (NPX) and its deprotonated form (NPX-) in the gas phase, water (WAT), acetonitrile (ACN), and ethanol (ETH)
RAR Archive - 20.0 KB - MD5: 5d8accf93d6a16e048017773d107cfa8
02_NPX_ACN.rar
Aug 18, 2026 - Data of supplementary material: Cluster structures of neutral naproxen (NPX) and its deprotonated form (NPX-) in the gas phase, water (WAT), acetonitrile (ACN), and ethanol (ETH)
RAR Archive - 39.2 KB - MD5: b791fff22a2d1995b33f740dc910440a
03_NPX_ETH.rar
Aug 18, 2026 - Data of supplementary material: Cluster structures of neutral naproxen (NPX) and its deprotonated form (NPX-) in the gas phase, water (WAT), acetonitrile (ACN), and ethanol (ETH)
RAR Archive - 47.1 KB - MD5: 0e96ad91c787505737dcc1137e8b0da2
04_NPX-_WAT.rar
Aug 18, 2026 - Data of supplementary material: Cluster structures of neutral naproxen (NPX) and its deprotonated form (NPX-) in the gas phase, water (WAT), acetonitrile (ACN), and ethanol (ETH)
RAR Archive - 19.7 KB - MD5: 924f42d9134e10713d5da089a5e572a9
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