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Magnetic Resonance in Chemistry : MRC|December 25, 2007
Chemical shift computations on a crystallographic basis: some reflections and commentsRobin K Harris, Paul Hodgkinson, Chris J Pickard, et al.Physical Chemistry Chemical Physics : PCCP|February 17, 2006
Assigning carbon-13 NMR spectra to crystal structures by the INADEQUATE pulse sequence and first principles computation: a case study of two forms of testosteroneRobin K Harris, Siân A Joyce, Chris J Pickard, et al.Nature|September 14, 2022
The first-principles phase diagram of monolayer nanoconfined waterVenkat Kapil, Christoph Schran, Andrea Zen, et al.Basic Research in Cardiology|June 25, 2016
Co-dependence of the neural and humoral pathways in the mechanism of remote ischemic conditioningJack M J Pickard, Sean M Davidson, Derek J Hausenloy, et al.Physical Chemistry Chemical Physics : PCCP|July 15, 2017
Polytypism in the ground state structure of the Lennard-JonesiumLívia B Pártay, Christoph Ortner, Albert P Bartók, et al.The Journal of Chemical Physics|July 9, 2021
Ab initio random structure searching for battery cathode materialsZiheng Lu, Bonan Zhu, Benjamin W B Shires, et al.Physical Chemistry Chemical Physics : PCCP|July 21, 2006
(23)Na multiple-quantum MAS NMR of the perovskites NaNbO(3) and NaTaO(3)Sharon E Ashbrook, Laurent Le Pollès, Régis Gautier, et al.Genes, Chromosomes & Cancer|February 19, 2000
Non-random involvement of chromosome 13 in patients with persistent or relapsed disease after bone-marrow transplantation for chronic myeloid leukemiaA Chase, J Pickard, R Szydlo, et al.Physical Chemistry Chemical Physics : PCCP|October 1, 2011
95Mo nuclear magnetic resonance parameters of molybdenum hexacarbonyl from density functional theory: appraisal of computational and geometrical parametersJérôme Cuny, Kateryna Sykina, Bruno Fontaine, et al.The Journal of Physical Chemistry. A|November 21, 2007
Theoretical investigations of oxygen-17 NMR chemical shifts to discriminate among helical formsItzam De Gortari, Marcelo Galván, Joel Ireta, et al.Pageof 28