Molecular Structure Refinement Based on Residual Dipolar Couplings: A Comparison of the Molecular Rotational-Sampling Method with the Alignment-Tensor Approach
%0 Journal Article
%1 Pechlaner_2024
%A Pechlaner, Maria
%A van Gunsteren, Wilfred F.
%A Smith, Lorna J.
%A Stankiewicz, Bartosz
%A Wirz, Lukas N.
%A Hansen, Niels
%D 2024
%I American Chemical Society (ACS)
%J Journal of Chemical Information and Modeling
%K EXC2075 PN3 PN3-8 selected
%N 12
%P 4781–4801
%R 10.1021/acs.jcim.4c00416
%T Molecular Structure Refinement Based on Residual Dipolar Couplings: A Comparison of the Molecular Rotational-Sampling Method with the Alignment-Tensor Approach
%U http://dx.doi.org/10.1021/acs.jcim.4c00416
%V 64
@article{Pechlaner_2024,
added-at = {2025-02-14T11:14:18.000+0100},
author = {Pechlaner, Maria and van Gunsteren, Wilfred F. and Smith, Lorna J. and Stankiewicz, Bartosz and Wirz, Lukas N. and Hansen, Niels},
biburl = {https://puma.ub.uni-stuttgart.de/bibtex/221f131d0fcc1dce396bfb319db95dd4c/simtechpuma},
doi = {10.1021/acs.jcim.4c00416},
interhash = {7c7302d5056da3fd6a16cc9f5dc35e8a},
intrahash = {21f131d0fcc1dce396bfb319db95dd4c},
issn = {1549-960X},
journal = {Journal of Chemical Information and Modeling},
keywords = {EXC2075 PN3 PN3-8 selected},
month = {06},
number = 12,
pages = {4781–4801},
publisher = {American Chemical Society (ACS)},
timestamp = {2025-02-14T11:14:18.000+0100},
title = {Molecular Structure Refinement Based on Residual Dipolar Couplings: A Comparison of the Molecular Rotational-Sampling Method with the Alignment-Tensor Approach},
url = {http://dx.doi.org/10.1021/acs.jcim.4c00416},
volume = 64,
year = 2024
}
