Computational and theoretical approaches for mechanistic understanding: general discussion

Matthias Bauer; Jamie Cadge; David Davies; Derek J Durand; Odile Eisenstein; Daniel Ess; Natalie Fey; Simone Gallarati; Mike George; Alexander Hamilton; Jeremy Harvey; Ulrich Hintermair; Alison N Hulme; Youichi Ishii; Vidar R Jensen; Guy Lloyd-Jones; Jennifer Love; Jason Lynam; Stuart Macgregor; Todd B Marder; Evert Jan Meijer; Patrick Morgan; Robert H Morris; Joseph Mwansa; Aaron Odom; Robin Perutz; Markus Reiher; Laurel Schafer; John Slattery; Tom Young

doi:10.1039/c9fd90073j

Computational and theoretical approaches for mechanistic understanding: general discussion

Matthias Bauer, Jamie Cadge, David Davies, Derek J Durand, Odile Eisenstein, Daniel Ess, Natalie Fey, Simone Gallarati, Mike George, Alexander Hamilton, Jeremy Harvey, Ulrich Hintermair, Alison N Hulme, Youichi Ishii, Vidar R Jensen, Guy Lloyd-Jones, Jennifer Love, Jason Lynam, Stuart Macgregor, Todd B MarderEvert Jan Meijer, Patrick Morgan, Robert H Morris, Joseph Mwansa, Aaron Odom, Robin Perutz, Markus Reiher, Laurel Schafer, John Slattery, Tom Young

Heriot-Watt University

Research output: Contribution to journal › Article

3 Citations (SciVal)

Original language	English
Pages (from-to)	464-488
Number of pages	25
Journal	Faraday Discussions
Volume	220
Early online date	25 Nov 2019
DOIs	https://doi.org/10.1039/c9fd90073j
Publication status	Published - 1 Dec 2019

ASJC Scopus subject areas

Physical and Theoretical Chemistry

Access to Document

10.1039/c9fd90073j

Cite this

Bauer, M., Cadge, J., Davies, D., Durand, D. J., Eisenstein, O., Ess, D., Fey, N., Gallarati, S., George, M., Hamilton, A., Harvey, J., Hintermair, U., Hulme, A. N., Ishii, Y., Jensen, V. R., Lloyd-Jones, G., Love, J., Lynam, J., Macgregor, S., ... Young, T. (2019). Computational and theoretical approaches for mechanistic understanding: general discussion. Faraday Discussions, 220, 464-488. https://doi.org/10.1039/c9fd90073j

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 2019, 'Computational and theoretical approaches for mechanistic understanding: general discussion', Faraday Discussions, vol. 220, pp. 464-488. https://doi.org/10.1039/c9fd90073j

@article{873456c95d8d4930b4e766544d7c3606,

title = "Computational and theoretical approaches for mechanistic understanding: general discussion",

author = "Matthias Bauer and Jamie Cadge and David Davies and Durand, {Derek J} and Odile Eisenstein and Daniel Ess and Natalie Fey and Simone Gallarati and Mike George and Alexander Hamilton and Jeremy Harvey and Ulrich Hintermair and Hulme, {Alison N} and Youichi Ishii and Jensen, {Vidar R} and Guy Lloyd-Jones and Jennifer Love and Jason Lynam and Stuart Macgregor and Marder, {Todd B} and Meijer, {Evert Jan} and Patrick Morgan and Morris, {Robert H} and Joseph Mwansa and Aaron Odom and Robin Perutz and Markus Reiher and Laurel Schafer and John Slattery and Tom Young",

year = "2019",

month = dec,

day = "1",

doi = "10.1039/c9fd90073j",

language = "English",

volume = "220",

pages = "464--488",

journal = "Faraday Discussions",

issn = "1364-5498",

publisher = "Royal Society of Chemistry",

}

TY - JOUR

T1 - Computational and theoretical approaches for mechanistic understanding

T2 - general discussion

AU - Bauer, Matthias

AU - Cadge, Jamie

AU - Davies, David

AU - Durand, Derek J

AU - Eisenstein, Odile

AU - Ess, Daniel

AU - Fey, Natalie

AU - Gallarati, Simone

AU - George, Mike

AU - Hamilton, Alexander

AU - Harvey, Jeremy

AU - Hintermair, Ulrich

AU - Hulme, Alison N

AU - Ishii, Youichi

AU - Jensen, Vidar R

AU - Lloyd-Jones, Guy

AU - Love, Jennifer

AU - Lynam, Jason

AU - Macgregor, Stuart

AU - Marder, Todd B

AU - Meijer, Evert Jan

AU - Morgan, Patrick

AU - Morris, Robert H

AU - Mwansa, Joseph

AU - Odom, Aaron

AU - Perutz, Robin

AU - Reiher, Markus

AU - Schafer, Laurel

AU - Slattery, John

AU - Young, Tom

PY - 2019/12/1

Y1 - 2019/12/1

UR - http://www.scopus.com/inward/record.url?scp=85076197705&partnerID=8YFLogxK

U2 - 10.1039/c9fd90073j

DO - 10.1039/c9fd90073j

M3 - Article

C2 - 31764927

SN - 1364-5498

VL - 220

SP - 464

EP - 488

JO - Faraday Discussions

JF - Faraday Discussions

ER -

Computational and theoretical approaches for mechanistic understanding: general discussion

ASJC Scopus subject areas

Access to Document

Other files and links

Cite this