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251 results

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Page 1
Physical methods for mechanistic understanding: general discussion.
Aoki Y, Bauer M, Braun T, Cadge J, Davies D, Durand DJ, Eisenstein O, Ess D, Fairlamb I, Fey N, Gallarati S, George M, Greaves M, Halse M, Hamilton A, Harvey J, Haynes A, Hintermair U, Hulme AN, Ishii Y, Jakoobi M, Jensen VR, Kennepohl P, Kuwata S, Lei A, Lloyd-Jones G, Love J, Lovelock K, Lynam J, Macgregor S, Marder TB, Meijer EJ, Morgan P, Morris RH, Mwansa J, Nelson D, Odom A, Perutz R, Reiher M, Renny J, Roithová J, Schafer L, Schilter D, Scott S, Slattery J, Walton J, Wilden JD, Wong CY, Yaman T, Young T. Aoki Y, et al. Among authors: reiher m. Faraday Discuss. 2019 Dec 2;220(0):144-178. doi: 10.1039/C9FD90070E. Faraday Discuss. 2019. PMID: 31755887 No abstract available.
Computational and theoretical approaches for mechanistic understanding: general discussion.
Bauer M, Cadge J, Davies D, Durand DJ, Eisenstein O, Ess D, Fey N, Gallarati S, George M, Hamilton A, Harvey J, Hintermair U, Hulme AN, Ishii Y, Jensen VR, Lloyd-Jones G, Love J, Lynam J, Macgregor S, Marder TB, Meijer EJ, Morgan P, Morris RH, Mwansa J, Odom A, Perutz R, Reiher M, Schafer L, Slattery J, Young T. Bauer M, et al. Among authors: reiher m. Faraday Discuss. 2019 Dec 2;220(0):464-488. doi: 10.1039/C9FD90073J. Faraday Discuss. 2019. PMID: 31764927 No abstract available.
Mechanistic insight into organic and industrial transformations: general discussion.
Aoki Y, Bauer M, Braun T, Cadge JA, Clarke GE, Durand DJ, Eisenstein O, Gallarati S, Greaves M, Harvey J, Haynes A, Hintermair U, Hulme AN, Ishii Y, Jakoobi M, Jensen VR, Kennepohl P, Kuwata S, Lei A, Lloyd-Jones G, Love J, Lynam J, Macgregor S, Morris RH, Nelson D, Odom A, Perutz R, Reiher M, Renny J, Roithova J, Schafer L, Scott S, Seavill PW, Slattery J, Takao T, Walton J, Wilden JD, Wong CY, Young T. Aoki Y, et al. Among authors: reiher m. Faraday Discuss. 2019 Dec 2;220(0):282-316. doi: 10.1039/C9FD90072A. Faraday Discuss. 2019. PMID: 31754665 No abstract available.
Understanding unusual element-element bond formation and activation: general discussion.
Aoki Y, Braun T, Davies D, Eisenstein O, Fairlamb I, Fey N, George M, Goult C, Hamilton A, Huang Z, Ishii Y, Jakoobi M, Kuwata S, Lloyd-Jones G, Love J, Lynam J, Macgregor S, Marder TB, Morgan P, Mwansa J, Odom A, Perutz R, Reiher M, Slattery J, Talavera M, Thomas G, Wong CY. Aoki Y, et al. Among authors: reiher m. Faraday Discuss. 2019 Dec 2;220(0):376-385. doi: 10.1039/C9FD90071C. Faraday Discuss. 2019. PMID: 31755882 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: reiher m. Faraday Discuss. 2016 Dec 22;195:521-556. doi: 10.1039/C6FD90075E. Faraday Discuss. 2016. PMID: 27929586 No abstract available.
Mechanism Deduction from Noisy Chemical Reaction Networks.
Proppe J, Reiher M. Proppe J, et al. Among authors: reiher m. J Chem Theory Comput. 2019 Jan 8;15(1):357-370. doi: 10.1021/acs.jctc.8b00310. Epub 2018 Dec 18. J Chem Theory Comput. 2019. PMID: 30507200
Error Assessment of Computational Models in Chemistry.
Simm GN, Proppe J, Reiher M. Simm GN, et al. Among authors: reiher m. Chimia (Aarau). 2017 Apr 26;71(4):202-208. doi: 10.2533/chimia.2017.202. Chimia (Aarau). 2017. PMID: 28446337 Free article.
Statistical Analysis of Semiclassical Dispersion Corrections.
Weymuth T, Proppe J, Reiher M. Weymuth T, et al. Among authors: reiher m. J Chem Theory Comput. 2018 May 8;14(5):2480-2494. doi: 10.1021/acs.jctc.8b00078. Epub 2018 Apr 13. J Chem Theory Comput. 2018. PMID: 29613785
251 results