Challenges and opportunities for NMR calculations: general discussion

Sharon E. Ashbrook; Gregory J. O. Beran; Jan Blahut; Frederic Blanc; Lee Brammer; Harry Brough; Steven P. Brown; Carlos Bornes; Thibault Charpentier; Martin Dracinsky; Marta K. Dudek; Lyndon Emsley; Thomas Fellowes; Christel Gervais; Kent J. Griffith; John Griffin; Gillian R. Goward; Paul Hodgkinson; Colan E. Hughes; Michael A. Hope; Simone S. Kocher; Danielle Laurencin; Zhiyuan Li; Sten O. Nilsson Lill; Andrew J. Morris; Leonard J. Mueller; Sarah L. Price; Jonathan R. Yates

doi:10.1039/d4fd90055c

Challenges and opportunities for NMR calculations: general discussion

Sharon E. Ashbrook, Gregory J. O. Beran, Jan Blahut, Frederic Blanc, Lee Brammer, Harry Brough, Steven P. Brown, Carlos Bornes, Thibault Charpentier, Martin Dracinsky, Marta K. Dudek, Lyndon Emsley, Thomas Fellowes, Christel Gervais, Kent J. Griffith, John Griffin, Gillian R. Goward, Paul Hodgkinson, Colan E. Hughes, Michael A. HopeSimone S. Kocher, Danielle Laurencin, Zhiyuan Li, Sten O. Nilsson Lill, Andrew J. Morris, Leonard J. Mueller, Sarah L. Price, Jonathan R. Yates

Research output: Contribution to journal › Comment/debate › peer-review

Original language	English
Pages (from-to)	288-310
Number of pages	23
Journal	Faraday Discussions
Volume	255
Early online date	4 Dec 2024
DOIs	https://doi.org/10.1039/d4fd90055c
Publication status	Published - 1 Jan 2025

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Ashbrook, S. E., Beran, G. J. O., Blahut, J., Blanc, F., Brammer, L., Brough, H., Brown, S. P., Bornes, C., Charpentier, T., Dracinsky, M., Dudek, M. K., Emsley, L., Fellowes, T., Gervais, C., Griffith, K. J., Griffin, J., Goward, G. R., Hodgkinson, P., Hughes, C. E., ... Yates, J. R. (2025). Challenges and opportunities for NMR calculations: general discussion. Faraday Discussions, 255, 288-310. https://doi.org/10.1039/d4fd90055c

@article{3e637468ae7b4efdba6f23faf5249c9e,

title = "Challenges and opportunities for NMR calculations: general discussion",

author = "Ashbrook, \{Sharon E.\} and Beran, \{Gregory J. O.\} and Jan Blahut and Frederic Blanc and Lee Brammer and Harry Brough and Brown, \{Steven P.\} and Carlos Bornes and Thibault Charpentier and Martin Dracinsky and Dudek, \{Marta K.\} and Lyndon Emsley and Thomas Fellowes and Christel Gervais and Griffith, \{Kent J.\} and John Griffin and Goward, \{Gillian R.\} and Paul Hodgkinson and Hughes, \{Colan E.\} and Hope, \{Michael A.\} and Kocher, \{Simone S.\} and Danielle Laurencin and Zhiyuan Li and Lill, \{Sten O. Nilsson\} and Morris, \{Andrew J.\} and Mueller, \{Leonard J.\} and Price, \{Sarah L.\} and Yates, \{Jonathan R.\}",

year = "2025",

month = jan,

day = "1",

doi = "10.1039/d4fd90055c",

language = "English",

volume = "255",

pages = "288--310",

journal = "Faraday Discussions",

issn = "1359-6640",

publisher = "Royal Society of Chemistry",

}

Ashbrook, SE, Beran, GJO, Blahut, J, Blanc, F, Brammer, L, Brough, H, Brown, SP, Bornes, C, Charpentier, T, Dracinsky, M, Dudek, MK, Emsley, L, Fellowes, T, Gervais, C, Griffith, KJ, Griffin, J, Goward, GR, Hodgkinson, P, Hughes, CE, Hope, MA, Kocher, SS, Laurencin, D, Li, Z, Lill, SON, Morris, AJ, Mueller, LJ, Price, SL & Yates, JR 2025, 'Challenges and opportunities for NMR calculations: general discussion', Faraday Discussions, vol. 255, pp. 288-310. https://doi.org/10.1039/d4fd90055c

TY - JOUR

T1 - Challenges and opportunities for NMR calculations

T2 - general discussion

AU - Ashbrook, Sharon E.

AU - Beran, Gregory J. O.

AU - Blahut, Jan

AU - Blanc, Frederic

AU - Brammer, Lee

AU - Brough, Harry

AU - Brown, Steven P.

AU - Bornes, Carlos

AU - Charpentier, Thibault

AU - Dracinsky, Martin

AU - Dudek, Marta K.

AU - Emsley, Lyndon

AU - Fellowes, Thomas

AU - Gervais, Christel

AU - Griffith, Kent J.

AU - Griffin, John

AU - Goward, Gillian R.

AU - Hodgkinson, Paul

AU - Hughes, Colan E.

AU - Hope, Michael A.

AU - Kocher, Simone S.

AU - Laurencin, Danielle

AU - Li, Zhiyuan

AU - Lill, Sten O. Nilsson

AU - Morris, Andrew J.

AU - Mueller, Leonard J.

AU - Price, Sarah L.

AU - Yates, Jonathan R.

PY - 2025/1/1

Y1 - 2025/1/1

UR - https://www.scopus.com/pages/publications/85211068113

U2 - 10.1039/d4fd90055c

DO - 10.1039/d4fd90055c

M3 - Comment/debate

C2 - 39629691

SN - 1359-6640

VL - 255

SP - 288

EP - 310

JO - Faraday Discussions

JF - Faraday Discussions

ER -

Challenges and opportunities for NMR calculations: general discussion

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