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Select item 109454851.

Polymorph Identification for Flexible Molecules: Linear Regression Analysis of Experimental and Calculated Solution- and Solid-State NMR Data

Mohammed Rahman, Hugh R. W. Dannatt, Charles D. Blundell, Leslie P. Hughes, Helen Blade, Jake Carson, Ben P. Tatman, Steven T. Johnston, Steven P. Brown

J Phys Chem A. 2024 Mar 14; 128(10): 1793–1816. Published online 2024 Mar 1. doi: 10.1021/acs.jpca.3c07732

PMCID:: PMC10945485

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Select item 85038832.

Refined Structures of O-Phospho-l-serine and Its Calcium Salt by New Multinuclear Solid-State NMR Crystallography Methods

Renny Mathew, Baltzar Stevensson, Mattias Edén

J Phys Chem B. 2021 Oct 7; 125(39): 10985–11004. Published online 2021 Sep 23. doi: 10.1021/acs.jpcb.1c05587

PMCID:: PMC8503883

Article PDF–2.6M

Select item 82738573.

Synergy of Solid-State NMR, Single-Crystal X-ray Diffraction, and Crystal Structure Prediction Methods: A Case Study of Teriflunomide (TFM)

Tomasz Pawlak, Isaac Sudgen, Grzegorz Bujacz, Dinu Iuga, Steven P. Brown, Marek J. Potrzebowski

Cryst Growth Des. 2021 Jun 2; 21(6): 3328–3343. Published online 2021 May 10. doi: 10.1021/acs.cgd.1c00123

PMCID:: PMC8273857

Article PDF–5.1M

Select item 100892044.

Diamagnetic response and phase stiffness for interacting isolated narrow bands

Dan Mao, Debanjan Chowdhury

Proc Natl Acad Sci U S A. 2023 Mar 14; 120(11): e2217816120. Published online 2023 Mar 10. doi: 10.1073/pnas.2217816120

PMCID:: PMC10089204

Article PDF–1.2M

Select item 70790655.

Effects of Li Confined Motion on NMR Quadrupolar Interactions: A Combined ⁷Li NMR and DFT‐MD Study of LiR₂(PO₄)₃ (R=Ti or Zr) Phases

Dr. Virginia Diez‐Gómez, Dr. Pedro L. de Andres, Prof. Dr. Jesús Sanz

ChemSusChem. 2020 Mar 9; 13(5): 1027–1036. Published online 2020 Jan 30. doi: 10.1002/cssc.201902991

PMCID:: PMC7079065

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Select item 88900996.

Solid-state ¹⁷O NMR study of α-d-glucose: exploring new frontiers in isotopic labeling, sensitivity enhancement, and NMR crystallography

Jiahui Shen, Victor Terskikh, Jochem Struppe, Alia Hassan, Martine Monette, Ivan Hung, Zhehong Gan, Andreas Brinkmann, Gang Wu

Chem Sci. 2022 Mar 2; 13(9): 2591–2603. Published online 2022 Jan 3. doi: 10.1039/d1sc06060k

PMCID:: PMC8890099

Article PDF–3.0M

Select item 101716487.

Underwater acoustic metamaterials

Erqian Dong, Peizheng Cao, Jinhu Zhang, Sai Zhang, Nicholas X Fang, Yu Zhang

Natl Sci Rev. 2023 Jun; 10(6): nwac246. Published online 2022 Nov 3. doi: 10.1093/nsr/nwac246

PMCID:: PMC10171648

Article PDF–4.7M

Select item 91345338.

The Magnetic Genome of Two-Dimensional van der Waals Materials

Qing Hua Wang, Amilcar Bedoya-Pinto, Mark Blei, Avalon H. Dismukes, Assaf Hamo, Sarah Jenkins, Maciej Koperski, Yu Liu, Qi-Chao Sun, Evan J. Telford, Hyun Ho Kim, Mathias Augustin, Uri Vool, Jia-Xin Yin, Lu Hua Li, Alexey Falin, Cory R. Dean, Fèlix Casanova, Richard F. L. Evans, Mairbek Chshiev, Artem Mishchenko, Cedomir Petrovic, Rui He, Liuyan Zhao, Adam W. Tsen, Brian D. Gerardot, Mauro Brotons-Gisbert, Zurab Guguchia, Xavier Roy, Sefaattin Tongay, Ziwei Wang, M. Zahid Hasan, Joerg Wrachtrup, Amir Yacoby, Albert Fert, Stuart Parkin, Kostya S. Novoselov, Pengcheng Dai, Luis Balicas, Elton J. G. Santos

ACS Nano. 2022 May 24; 16(5): 6960–7079. Published online 2022 Apr 20. doi: 10.1021/acsnano.1c09150

PMCID:: PMC9134533

Article PDF–19M

Select item 76590399.

Computation of NMR Shielding Constants for Solids Using an Embedded Cluster Approach with DFT, Double-Hybrid DFT, and MP2

Anneke Dittmer, Georgi L. Stoychev, Dimitrios Maganas, Alexander A. Auer, Frank Neese

J Chem Theory Comput. 2020 Nov 10; 16(11): 6950–6967. Published online 2020 Sep 23. doi: 10.1021/acs.jctc.0c00067

PMCID:: PMC7659039

Article PDF–5.5M

Select item 437466010.

Higgs decay into two photons in a warped extra dimension

Juliane Hahn, Clara Hörner, Raoul Malm, Matthias Neubert, Kristiane Novotny, Christoph Schmell

Eur Phys J C Part Fields. 2014; 74(5): 2857. Published online 2014 May 3. doi: 10.1140/epjc/s10052-014-2857-8

PMCID:: PMC4374660

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Select item 741753611.

Turbulent hydrodynamics in strongly correlated Kagome metals

Domenico Di Sante, Johanna Erdmenger, Martin Greiter, Ioannis Matthaiakakis, René Meyer, David Rodríguez Fernández, Ronny Thomale, Erik van Loon, Tim Wehling

Nat Commun. 2020; 11: 3997. Published online 2020 Aug 10. doi: 10.1038/s41467-020-17663-x

PMCID:: PMC7417536

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Select item 728498012.

Periodic DFT Calculations—Review of Applications in the Pharmaceutical Sciences

Anna Helena Mazurek, Łukasz Szeleszczuk, Dariusz Maciej Pisklak

Pharmaceutics. 2020 May; 12(5): 415. Published online 2020 May 1. doi: 10.3390/pharmaceutics12050415

PMCID:: PMC7284980

Article PDF–1.6M

Select item 983200613.

Doubled strength and ductility via maraging effect and dynamic precipitate transformation in ultrastrong medium-entropy alloy

Hyun Chung, Won Seok Choi, Hosun Jun, Hyeon-Seok Do, Byeong-Joo Lee, Pyuck-Pa Choi, Heung Nam Han, Won-Seok Ko, Seok Su Sohn

Nat Commun. 2023; 14: 145. Published online 2023 Jan 10. doi: 10.1038/s41467-023-35863-z

PMCID:: PMC9832006

Article PDF–3.5M

Select item 377623414.

Heavy fermion properties of the Kondo Lattice model

Steffen Sykora, Klaus W. Becker

Sci Rep. 2013; 3: 2691. Published online 2013 Sep 18. doi: 10.1038/srep02691

PMCID:: PMC3776234

Article PDF–712K

Select item 897218515.

Gain control by sparse, ultra-slow glycinergic synapses

Varsha Jain, Laura Hanson, Santhosh Sethuramanujam, Tracy Michaels, Jerram Gawley, Ronald G. Gregg, Ian Pyle, Chi Zhang, Robert G. Smith, David Berson, Maureen A. McCall, Gautam B. Awatramani

Cell Rep. Author manuscript; available in PMC 2022 Apr 1.

Published in final edited form as: Cell Rep. 2022 Feb 22; 38(8): 110410. doi: 10.1016/j.celrep.2022.110410