Probing the accuracy and precision of Hirshfeld atom refinement with HARt interfaced with Olex2

Fugel, Malte; Jayatilaka, Dylan; Hupf, Emanuel; Overgaard, Jacob; Hathwar, Venkatesha R.; Macchi, Piero; Turner, Michael J.; Howard, Judith A. K.; Dolomanov, Oleg V.; Puschmann, Horst; Iversen, Bo B.; Bürgi, Hans-Beat; Grabowsky, Simon (2018). Probing the accuracy and precision of Hirshfeld atom refinement with HARt interfaced with Olex2. IUCrJ, 5(1), pp. 32-44. International Union of Crystallography 10.1107/S2052252517015548

[img]
Preview
Text
118_HAR_2018.pdf - Published Version
Available under License Creative Commons: Attribution (CC-BY).

Download (1MB) | Preview

Item Type:

Journal Article (Original Article)

Division/Institute:

08 Faculty of Science > Department of Chemistry, Biochemistry and Pharmaceutical Sciences (DCBP)

UniBE Contributor:

Macchi, Piero, Bürgi, Hans-Beat

Subjects:

500 Science > 570 Life sciences; biology
500 Science > 540 Chemistry

ISSN:

2052-2525

Publisher:

International Union of Crystallography

Language:

English

Submitter:

Piero Macchi

Date Deposited:

02 May 2018 15:40

Last Modified:

05 Dec 2022 15:11

Publisher DOI:

10.1107/S2052252517015548

BORIS DOI:

10.7892/boris.111926

URI:

https://boris.unibe.ch/id/eprint/111926

Actions (login required)

Edit item Edit item
Provide Feedback