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A Joint Venture of Ab Initio Molecular Dynamics, Coupled Cl..:
Sharma, Bikramjit
;
Tran, Van Anh
;
Pongratz, Tim
...
Journal of Chemical Theory and Computation. 17 (2021) 10 - p. 6366-6386 , 2021
Link:
https://doi.org/10.1021/acs.jctc.1c00582
RT Journal T1 <Title>A Joint Venture of Ab Initio Molecular Dynamics, Coupled Cluster Electronic Structure Methods, and Liquid-State Theory to Compute Accurate Isotropic Hyperfine Constants of Nitroxide Probes in Water</Title> UL https://suche.suub.uni-bremen.de/peid=cr-10.1021_acs.jctc.1c00582&Exemplar=1&LAN=DE A1 Sharma, Bikramjit A1 Tran, Van Anh A1 Pongratz, Tim A1 Galazzo, Laura A1 Zhurko, Irina A1 Bordignon, Enrica A1 Kast, Stefan M. A1 Neese, Frank A1 Marx, Dominik PB American Chemical Society (ACS) YR 2021 SN 1549-9618 SN 1549-9626 JF Journal of Chemical Theory and Computation VO 17 IS 10 SP 6366 OP 6386 LK http://dx.doi.org/https://doi.org/10.1021/acs.jctc.1c00582 DO https://doi.org/10.1021/acs.jctc.1c00582 SF ELIB - SuUB Bremen
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