Publications
The application of tailor-made force fields and molecular dynamics for NMR crystallography: a case study of free base cocaine
Xiaozhou Li, Marcus A. Neumann, Jacco van de Streek
IUCrJ, 2017(4), 175-184
Molecular dynamics with tailor-made force fields for materials science
Xiaozhou Li
PhD thesis, ISBN: 978-87-93086-85-2
Crystallographic and dynamic aspects of solid‐state NMR calibration compounds: Towards ab initio NMR crystallography
Xiaozhou Li, Lukas Tapmeyer, Michael Bolte, Jacco van de Streek
ChemPhysChem, 2016(17), 2496-2502
Crystal structure and tautomerism of Pigment Yellow 138 determined by X-ray powder diffraction and solid-state NMR
Silke D. Gumbert, Meike Körbitzer, Edith Alig, Martin U. Schmidt, Michele R. Chierotti, Roberto Gobetto, Xiaozhou Li, Jacco van de Streek
Dyes and Pigments, 2016(131), 364-372
Distinguishing tautomerism in the crystal structure of (Z)-N-(5-ethyl-2,3-dihydro-1,3,4-thiadiazol-2-ylidene)-4-methylbenzenesulfonamide using DFT-D calculations and 13C solid-state NMR
Xiaozhou Li, Andrew D. Bond, Kristoffer E. Johansson, Jacco van de Streek
Acta Cryst., 2014(C70), 784-789
Role of Arg228 in the phosphorylation of galactokinase: the mechanism of GHMP kinases by quantum mechanics/molecular mechanics studies
Meilan Huang, Xiaozhou Li, Jian-Wei Zou, David J. Timson
Biochemistry, 2013(52), 4858-4868