Preview

Experimental_benchmark_nmr
- .DS_Store
  
  8.2 kB
- .ipynb_checkpoints
  - AZD8329_Form_4-checkpoint.xyz
    
    6.4 kB
  - Cocaine-checkpoint.xyz
    
    4.5 kB
  - Flufenamic_acid.relax.nmr-checkpoint.xyz
    
    8.7 kB
- AZD8329.cif
  
  8.1 kB
- AZD8329.xyz
  
  6.5 kB
- Cocaine.cif
  
  5.7 kB
- Cocaine.xyz
  
  4.5 kB
- Dimethylimidazole.cif
  
  7.8 kB
- Dimethylimidazole.xyz
  
  6.2 kB
- Flufenamic_acid.relax.nmr.cif
  
  7.2 kB
- Flufenamic_acid.relax.nmr.in
  
  133 Bytes
- Flufenamic_acid.relax.nmr.out
  
  230.2 kB
- Flufenamic_acid.relax.nmr.xyz
  
  8.7 kB
- Flufenamic_acid.relax.scf.in
  
  4.3 kB
- Flufenamic_acid.relax.scf.out
  
  30.0 kB
- Flutamide.relax.nmr.cif
  
  7.2 kB
- Flutamide.relax.nmr.in
  
  127 Bytes
- Flutamide.relax.nmr.out
  
  230.8 kB
- Flutamide.relax.nmr.xyz
  
  8.7 kB
- Flutamide.relax.scf.in
  
  4.4 kB
- Flutamide.relax.scf.out
  
  36.2 kB
- Furosemide.relax.nmr.cif
  
  7.6 kB
- Furosemide.relax.nmr.in
  
  128 Bytes
- Furosemide.relax.nmr.out
  
  246.1 kB
- Furosemide.relax.nmr.xyz
  
  9.3 kB
- Furosemide.relax.scf.in
  
  4.7 kB
- Furosemide.relax.scf.out
  
  33.2 kB
- Indomethacin-nicotinamide.relax.nmr.cif
  
  13.0 kB
- Indomethacin-nicotinamide.relax.nmr.in
  
  153 Bytes
- Indomethacin-nicotinamide.relax.nmr.out
  
  420.5 kB
- Indomethacin-nicotinamide.relax.nmr.xyz
  
  16.1 kB
- Indomethacin-nicotinamide.relax.scf.in
  
  7.6 kB
- Indomethacin-nicotinamide.relax.scf.out
  
  45.4 kB
- Naproxen.cif
  
  4.3 kB
- Naproxen.xyz
  
  3.3 kB
- Penicillin.relax.nmr.cif
  
  9.7 kB
- Penicillin.relax.nmr.in
  
  128 Bytes
- Penicillin.relax.nmr.out
  
  313.1 kB
- Penicillin.relax.nmr.xyz
  
  11.8 kB
- Penicillin.relax.scf.in
  
  5.7 kB
- Penicillin.relax.scf.out
  
  41.5 kB
- Phenylphosphonic_acid.relax.nmr.cif
  
  8.0 kB
- Phenylphosphonic_acid.relax.nmr.in
  
  139 Bytes
- Phenylphosphonic_acid.relax.nmr.out
  
  258.9 kB
- Phenylphosphonic_acid.relax.nmr.xyz
  
  9.8 kB
- Phenylphosphonic_acid.relax.scf.in
  
  4.8 kB
- Phenylphosphonic_acid.relax.scf.out
  
  32.3 kB
- Theophylline.cif
  
  5.6 kB
- Theophylline.xyz
  
  4.5 kB
- Uracil.cif
  
  3.4 kB
- Uracil.xyz
  
  2.6 kB
__MACOSX
- Experimental_benchmark_nmr
  - ._AZD8329.cif
    
    176 Bytes
  - ._AZD8329.xyz
    
    346 Bytes
  - ._Cocaine.cif
    
    276 Bytes
  - ._Cocaine.xyz
    
    346 Bytes
  - ._Dimethylimidazole.cif
    
    176 Bytes
  - ._Dimethylimidazole.xyz
    
    346 Bytes
  - ._Flufenamic_acid.relax.nmr.cif
    
    176 Bytes
  - ._Flufenamic_acid.relax.nmr.xyz
    
    176 Bytes
  - ._Flutamide.relax.nmr.cif
    
    176 Bytes
  - ._Flutamide.relax.nmr.xyz
    
    176 Bytes
  - ._Furosemide.relax.nmr.cif
    
    176 Bytes
  - ._Furosemide.relax.nmr.xyz
    
    176 Bytes
  - ._Indomethacin-nicotinamide.relax.nmr.cif
    
    176 Bytes
  - ._Indomethacin-nicotinamide.relax.nmr.xyz
    
    176 Bytes
  - ._Naproxen.cif
    
    176 Bytes
  - ._Naproxen.xyz
    
    346 Bytes
  - ._Penicillin.relax.nmr.cif
    
    176 Bytes
  - ._Penicillin.relax.nmr.xyz
    
    176 Bytes
  - ._Phenylphosphonic_acid.relax.nmr.cif
    
    176 Bytes
  - ._Phenylphosphonic_acid.relax.nmr.xyz
    
    176 Bytes
  - ._Theophylline.cif
    
    176 Bytes
  - ._Theophylline.xyz
    
    346 Bytes
  - ._Uracil.cif
    
    176 Bytes
  - ._Uracil.xyz
    
    346 Bytes

Experimental_benchmark_nmr.zip