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 pechlaner2024molecular
%A Pechlaner, Maria
%A Gunsteren, Wilfred F. van
%A Smith, Lorna J.
%A Stankiewicz, Bartosz
%A Wirz, Lukas N.
%A Hansen, Niels
%D 2024
%I American Chemical Society
%J Journal of chemical information and modeling
%K ubs_40084 unibibliografie ubs_10004 ubs_30058 ubs_20005 wos
%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
@article{pechlaner2024molecular,
added-at = {2024-12-05T10:31:20.000+0100},
affiliation = {Hansen, N (Corresponding Author), Univ Stuttgart, Inst Thermodynam \& Thermal Proc Engn, D-70569 Stuttgart, Germany.
Smith, Lorna J., Univ Oxford, Dept Chem, Inorgan Chem Lab, Oxford OX1 3QR, England.
Pechlaner, Maria; van Gunsteren, Wilfred F., ETH, Swiss Fed Inst Technol, Inst Mol Phys Sci, CH-8093 Zurich, Switzerland.
Stankiewicz, Bartosz; Hansen, Niels, Univ Stuttgart, Inst Thermodynam \& Thermal Proc Engn, D-70569 Stuttgart, Germany.
Wirz, Lukas N., Univ Helsinki, Dept Chem, FIN-00014 Helsinki, Finland.},
author = {Pechlaner, Maria and Gunsteren, Wilfred F. van and Smith, Lorna J. and Stankiewicz, Bartosz and Wirz, Lukas N. and Hansen, Niels},
biburl = {https://puma.ub.uni-stuttgart.de/bibtex/2e08b9a6add334c4aad2d12d3a050b626/unibiblio},
doi = {10.1021/acs.jcim.4c00416},
interhash = {7c7302d5056da3fd6a16cc9f5dc35e8a},
intrahash = {e08b9a6add334c4aad2d12d3a050b626},
issn = {{1549-9596} and {1549-960X}},
journal = {Journal of chemical information and modeling},
keywords = {ubs_40084 unibibliografie ubs_10004 ubs_30058 ubs_20005 wos},
language = {eng},
orcid-numbers = {Hansen, Niels/0000-0003-4366-6120},
publisher = {American Chemical Society},
research-areas = {Pharmacology \& Pharmacy; Chemistry; Computer Science},
timestamp = {2024-12-10T14:24:43.000+0100},
title = {Molecular Structure Refinement Based on Residual Dipolar Couplings : A Comparison of the Molecular Rotational-Sampling Method with the Alignment-Tensor Approach},
unique-id = {WOS:001245119100001},
year = 2024
}
