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TWO-LEVEL STOCHASTIC SEARCH OF LOW-ENERGY CONFORMERS FOR MOLECULAR SPECTROSCOPY: IMPLEMENTATION AND VALIDATION OF MM AND QM MODELS
Chandramouli, Balasubramanian, del Galdo, Sara, Fusè, Marco, Barone, Vincenzo, Mancini, GiordanoYear:
2019
Language:
english
Journal:
Physical Chemistry Chemical Physics
DOI:
10.1039/C9CP03557E
File:
PDF, 2.01 MB
english, 2019