Journal article

Derivatives of spin dynamics simulations.

Abstract:: We report analytical equations for the derivatives of spin dynamics simulations with respect to pulse sequence and spin system parameters. The methods described are significantly faster, more accurate, and more reliable than the finite difference approximations typically employed. The resulting derivatives may be used in fitting, optimization, performance evaluation, and stability analysis of spin dynamics simulations and experiments.

Publication status:: Published

Peer review status:: Peer reviewed

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APA Style

Kuprov, I., & Rodgers, C. (2009). Derivatives of spin dynamics simulations. Journal of Chemical Physics, 131(23), 234108.

MLA Style

Kuprov, I., and C. Rodgers. “Derivatives of Spin Dynamics Simulations.” Journal of Chemical Physics, vol. 131, no. 23, American Institute of Physics, 2009, p. 234108.

Chicago Style

Kuprov, I, and C Rodgers. 2009. “Derivatives of Spin Dynamics Simulations.” Journal of Chemical Physics 131 (23): 234108.
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Files:: Kuprov and Rodgers, Derivatives of spin dynamics simulations.pdf

(Preview, Version of record, pdf, 1.5MB, Terms of use)

Publisher copy:: 10.1063/1.3267086

Authors

+ Kuprov, I More by this author

Role:: Author

+ Rodgers, C More by this author

Institution:: University of Oxford
Division:: MSD
Department:: RDM
Sub department:: RDM Cardiovascular Medicine
Role:: Author

+ National Institute of Science More from this funder

Grant:: PHY05-51164

+ Engineering and Physical Sciences Research Council More from this funder

Grant:: EP/H003789/1

Publisher:: American Institute of Physics
Journal:: Journal of Chemical Physics More from this journal
Volume:: 131
Issue:: 23
Pages:: 234108
Publication date:: 2009-12-01
Acceptance date:: 2009-10-17
DOI:: 10.1063/1.3267086
EISSN:: 1089-7690
ISSN:: 0021-9606

Language:: English
Keywords:: Computer Simulation

Spin Labels

Models, Molecular
Pubs id:: pubs:260531
UUID:: uuid:5c92909f-1b1a-4c85-924a-4d2109a6a033
Local pid:: pubs:260531
Source identifiers:: 260531
Deposit date:: 2013-11-16

Terms of use

Copyright holder:: American Institute of Physics
Copyright date:: 2009
Notes:: © 2009 American Institute of Physics.

Licence:: Terms and Conditions of Use for Oxford University Research Archive

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