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J. Kozuch, S. H. Schneider, C. Zheng, Z. Ji, R. T. Bradshaw, S. G. Boxer, 

Testing the limitations of MD-based local electric fields using the vibrational Stark effect in solution: penicillin G as a test case. 

J. Phys. Chem. B, 2021, 125, 4415-4427. [link]