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wSterimol: Generate Boltzmann-weighted Sterimol Steric Parameters for Conformationally-Flexible Substituents
wSterimol: Generate Boltzmann-weighted Sterimol Steric Parameters for Conformationally-Flexible Substituents
2018
Alexandre V. Brethomé
Stephen P. Fletcher
Robert S. Paton
Keywords:
Computational chemistry
Cheminformatics
Boltzmann constant
Chemistry
Steric effects
Physical organic chemistry
Correction
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