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Page 1
New methods: general discussion.
Angulo G, Astumian RD, Beniwal V, Bolhuis PG, Dellago C, Ellis J, Ensing B, Glowacki DR, Hammes-Schiffer S, Kästner J, Lelièvre T, Makri N, Manolopoulos D, Menzl G, Miller TF, Mulholland A, Oprzeska-Zingrebe EA, Parrinello M, Pollak E, Proppe J, Reiher M, Richardson J, Roy Chowdhury P, Sanz E, Schütte C, Shalashilin D, Szabla R, Taraphder S, Tiwari A, Vanden-Eijnden E, Vijaykumar A, Zinovjev K. Angulo G, et al. Among authors: parrinello m. Faraday Discuss. 2016 Dec 22;195:521-556. doi: 10.1039/C6FD90075E. Faraday Discuss. 2016. PMID: 27929586 No abstract available.
Application to large systems: general discussion.
Althorpe S, Angulo G, Astumian RD, Beniwal V, Bolhuis PG, Brandão J, Ellis J, Fang W, Glowacki DR, Hammes-Schiffer S, Hele TJ, Jónsson H, Lelièvre T, Makri N, Manolopoulos D, Mebel AM, Menzl G, Miller TF, Parrinello M, Piaggi PM, Pollak E, Roy Chowdhury P, Sanz E, Shalashilin D, Skúlason E, Spezia R, Taraphder S. Althorpe S, et al. Among authors: parrinello m. Faraday Discuss. 2016 Dec 8. doi: 10.1039/C6FD90076C. Online ahead of print. Faraday Discuss. 2016. PMID: 27929584 No abstract available.
Nuclear quantum effects and hydrogen bond fluctuations in water.
Ceriotti M, Cuny J, Parrinello M, Manolopoulos DE. Ceriotti M, et al. Among authors: parrinello m. Proc Natl Acad Sci U S A. 2013 Sep 24;110(39):15591-6. doi: 10.1073/pnas.1308560110. Epub 2013 Sep 6. Proc Natl Acad Sci U S A. 2013. PMID: 24014589 Free PMC article.
Comment on "Dissociation of water under pressure".
Dellago C, Geissler PL, Chandler D, Hutter J, Parrinello M. Dellago C, et al. Among authors: parrinello m. Phys Rev Lett. 2002 Nov 4;89(19):199601; author reply 199602. doi: 10.1103/PhysRevLett.89.199601. Epub 2002 Oct 16. Phys Rev Lett. 2002. PMID: 12443160 No abstract available.
Autoionization in liquid water.
Geissler PL, Dellago C, Chandler D, Hutter J, Parrinello M. Geissler PL, et al. Among authors: parrinello m. Science. 2001 Mar 16;291(5511):2121-4. doi: 10.1126/science.1056991. Science. 2001. PMID: 11251111
395 results