Nuclear quantum effects enter the mainstream
Author:
Publisher
Springer Science and Business Media LLC
Subject
General Chemical Engineering,General Chemistry
Link
http://www.nature.com/articles/s41570-017-0109.pdf
Reference197 articles.
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3. Wang, A., Fried, S. D., Boxer, S. G. & Markland, T. E. Quantum delocalization of protons in the hydrogen bond network of an enzyme active site. Proc. Natl Acad. Sci. USA 111, 18454–18459 (2014).
4. Wang, L., Isborn, C. M. & Markland, T. E. Simulating nuclear and electronic quantum effects in enzymes. Methods Enzymol. 577, 389–418 (2016).
5. Rossi, M., Gasparotto, P. & Ceriotti, M. Anharmonic and quantum fluctuations in molecular crystals: a first-principles study of the stability of paracetamol. Phys. Rev. Lett. 117, 115702 (2016).
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