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Fundamentals: general discussion.
Althorpe SC, Beniwal V, Bolhuis PG, Brandão J, Clary DC, Ellis J, Fang W, Glowacki DR, Hele TJ, Jónsson H, Kästner J, Makri N, Manolopoulos DE, McKemmish LK, Menzl G, Miller TF III, Miller WH, Pollak E, Rampino S, Richardson JO, Richter M, Roy Chowdhury P, Shalashilin D, Tennyson J, Welsch R. Althorpe SC, et al. Among authors: kastner j. Faraday Discuss. 2016 Dec 22;195:139-169. doi: 10.1039/c6fd90077a. Faraday Discuss. 2016. PMID: 27942654 No abstract available.
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: kastner j. Faraday Discuss. 2016 Dec 22;195:521-556. doi: 10.1039/C6FD90075E. Faraday Discuss. 2016. PMID: 27929586 No abstract available.
Atom Tunneling in Chemistry.
Meisner J, Kästner J. Meisner J, et al. Among authors: kastner j. Angew Chem Int Ed Engl. 2016 Apr 25;55(18):5400-13. doi: 10.1002/anie.201511028. Epub 2016 Mar 16. Angew Chem Int Ed Engl. 2016. PMID: 26990917 Review.
Dual-Level Approach to Instanton Theory.
Meisner J, Kästner J. Meisner J, et al. Among authors: kastner j. J Chem Theory Comput. 2018 Apr 10;14(4):1865-1872. doi: 10.1021/acs.jctc.8b00068. Epub 2018 Mar 23. J Chem Theory Comput. 2018. PMID: 29529360
319 results