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41 to 50 of 10,906 Results
Figure S5.zip
Jul 21, 2025 - Code and data for "Reversibly Redox Active Iron Oxide Structures in FeNC Catalysts Identified by Microscopy and Spectroelectrochemical EPR and Mössbauer Methods "
ZIP Archive - 1.1 MB - MD5: 01f628bbc1f437c8e63b1d02058d22e5
Figure S6.zip
Jul 21, 2025 - Code and data for "Reversibly Redox Active Iron Oxide Structures in FeNC Catalysts Identified by Microscopy and Spectroelectrochemical EPR and Mössbauer Methods "
ZIP Archive - 119.9 KB - MD5: 06859fc973a93062b44e932032db57bf
Figure S8.zip
Jul 21, 2025 - Code and data for "Reversibly Redox Active Iron Oxide Structures in FeNC Catalysts Identified by Microscopy and Spectroelectrochemical EPR and Mössbauer Methods "
ZIP Archive - 200.6 MB - MD5: dc204eb9a1b9b29d36879c7478f8787d
Figure S9.zip
Jul 21, 2025 - Code and data for "Reversibly Redox Active Iron Oxide Structures in FeNC Catalysts Identified by Microscopy and Spectroelectrochemical EPR and Mössbauer Methods "
ZIP Archive - 1.6 MB - MD5: 1365080815f3829228bd26011e386d7c
EPR simulation program and spectra library.zip
Jul 21, 2025 - Code and data for "Reversibly Redox Active Iron Oxide Structures in FeNC Catalysts Identified by Microscopy and Spectroelectrochemical EPR and Mössbauer Methods "
ZIP Archive - 151.3 MB - MD5: 13e767cb1acc889abaa56a2d609dc235
This zip file contains EasySpin scripts and precalculated spectra to fit high spin EPR spectra with large distribution in their ZFS paramaters. A README file explains usage of the codes.
code.zip
Jul 18, 2025 - Code and data for 'Improved vapor pressure predictions using group contribution-assisted graph convolutional neural networks (GC2NN)'
ZIP Archive - 91.3 KB - MD5: 5613a4d3f5be177c05e84384c7e8dac0
Source code and example script
model_comparison.zip
Jul 18, 2025 - Code and data for 'Improved vapor pressure predictions using group contribution-assisted graph convolutional neural networks (GC2NN)'
ZIP Archive - 93.4 KB - MD5: 0116a25cff204b0766be334a22a98774
Vapor pressure predictions from other methods for comparison (OHE-CNN, EPI-suite, SIMPOL, EVAPORATION)
preprocessed_data.zip
Jul 18, 2025 - Code and data for 'Improved vapor pressure predictions using group contribution-assisted graph convolutional neural networks (GC2NN)'
ZIP Archive - 2.1 MB - MD5: ae72f51d8b1c6c03e6242a31db6fab11
Pre-processed input data and test sets
raw_data.zip
Jul 18, 2025 - Code and data for 'Improved vapor pressure predictions using group contribution-assisted graph convolutional neural networks (GC2NN)'
ZIP Archive - 101.7 KB - MD5: b597682e33826434d232dd24fe08daac
Original data sets (Naef, pubchem)
testset_predictions.zip
Jul 18, 2025 - Code and data for 'Improved vapor pressure predictions using group contribution-assisted graph convolutional neural networks (GC2NN)'
ZIP Archive - 33.1 KB - MD5: b2d2f9f36cb92f06d502f2a2d0f10e05
Test set predictions and errors of final models
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