Laasner, Raul https://orcid.org/0000-0002-9714-1189
Mandzhieva, Iuliia https://orcid.org/0000-0001-9154-9012
Huhn, William P https://orcid.org/0000-0002-8815-4594
Colell, Johannes
Yu, Victor Wen-zhe https://orcid.org/0000-0002-6568-1244
Warren, Warren S https://orcid.org/0000-0001-8458-2076
Theis, Thomas https://orcid.org/0000-0001-6779-9978
Blum, Volker https://orcid.org/0000-0001-8660-7230
Funding for this research was provided by:
National Science Foundation (1450280)
American Chemical Society Petroleum Research Fund
Biological and Environmental Research (DE-SC0023334)
North Carolina State University High Performance Computing Services Core Facility (RRID:SCR_022168)
National Energy Research Scientific Computing Center (DE-AC02-05CH11231)
Article Title: Molecular NMR shieldings, J-couplings, and magnetizabilities from numeric atom-centered orbital based density-functional calculations
Journal Title: Electronic Structure
Article Type: paper
Copyright Information: © 2024 IOP Publishing Ltd. All rights, including for text and data mining, AI training, and similar technologies, are reserved.
Publication dates
Date Received: 2024-01-05
Date Accepted: 2024-04-30
Online publication date: 2024-05-30