Errors in DFT integration grids and their potential impact on chemical shift calculations
Wilson, Philippe B ; Grootveld, Martin and Kamerlin, Shina Caroline Lynn LU
(2020)
In Magnetic Resonance in Chemistry
58(1).
p.116-117
Please use this url to cite or link to this publication:
https://lup.lub.lu.se/record/11e3993e-dee2-491b-a522-25d1daca1dfa
- author
- Wilson, Philippe B
; Grootveld, Martin
and Kamerlin, Shina Caroline Lynn
LU
- publishing date
- 2020-01
- type
- Contribution to journal
- publication status
- published
- in
- Magnetic Resonance in Chemistry
- volume
- 58
- issue
- 1
- pages
- 2 pages
- publisher
- John Wiley & Sons Inc.
- external identifiers
-
- scopus:85077181453
- pmid:31498495
- ISSN
- 1097-458X
- DOI
- 10.1002/mrc.4940
- language
- English
- LU publication?
- no
- id
- 11e3993e-dee2-491b-a522-25d1daca1dfa
- date added to LUP
- 2025-01-11 20:27:16
- date last changed
- 2025-07-28 09:32:51
@article{11e3993e-dee2-491b-a522-25d1daca1dfa,
author = {{Wilson, Philippe B and Grootveld, Martin and Kamerlin, Shina Caroline Lynn}},
issn = {{1097-458X}},
language = {{eng}},
number = {{1}},
pages = {{116--117}},
publisher = {{John Wiley & Sons Inc.}},
series = {{Magnetic Resonance in Chemistry}},
title = {{Errors in DFT integration grids and their potential impact on chemical shift calculations}},
url = {{http://dx.doi.org/10.1002/mrc.4940}},
doi = {{10.1002/mrc.4940}},
volume = {{58}},
year = {{2020}},
}