Publications by authors named "Cory M Widdifield"

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NMR Crystallography Structure Determinations with H Chemical Shifts. GIPAW DFT Calculation Quality Can Be Substantially Degraded, but Nearly Identical Outputs Relative to Benchmark Computations Are Obtained: Why and So What?
Cory M Widdifield, Navjot Kaur, Khoa Minh Nghi Nguyen

J Phys Chem A· April 2025

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H isotropic chemical shift metrics for NMR crystallography of powdered molecular organics.
Fatemeh Zakeri, Cory M Widdifield

Phys Chem Chem Phys· February 2025

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Can simple 'molecular' corrections outperform projector augmented-wave density functional theory in the prediction of Cl electric field gradient tensor parameters for chlorine-containing crystalline systems?
Cory M Widdifield, Fatemeh Zakeri

Magn Reson Chem· March 2024

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Multiple Surface Site Three-Dimensional Structure Determination of a Supported Molecular Catalyst.
Ribal Jabbour, Marc Renom-Carrasco, Ka Wing Chan, Laura Völker, Pierrick Berruyer, Cory M Widdifield

J Am Chem Soc· June 2022

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Resolving alternative organic crystal structures using density functional theory and NMR chemical shifts.
Cory M Widdifield, James D Farrell, Jason C Cole, Judith A K Howard, Paul Hodgkinson

Chem Sci· February 2020

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Rapid Structure Determination of Molecular Solids Using Chemical Shifts Directed by Unambiguous Prior Constraints.
Albert Hofstetter, Martins Balodis, Federico M Paruzzo, Cory M Widdifield, Gabriele Stevanato

J Am Chem Soc· October 2019

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Elucidating an Amorphous Form Stabilization Mechanism for Tenapanor Hydrochloride: Crystal Structure Analysis Using X-ray Diffraction, NMR Crystallography, and Molecular Modeling.
Sten O Nilsson Lill, Cory M Widdifield, Anna Pettersen, Anna Svensk Ankarberg, Maria Lindkvist

Mol Pharm· April 2018

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Structural Insights from Co Solid-State NMR Experiments on Organocobalt(I) Catalysts.
Kevin M N Burgess, Cory M Widdifield, Yang Xu, César Leroy, David L Bryce

Chemphyschem· January 2018

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The structure and binding mode of citrate in the stabilization of gold nanoparticles.
Hind Al-Johani, Edy Abou-Hamad, Abdesslem Jedidi, Cory M Widdifield, Jasmine Viger-Gravel

Nat Chem· September 2017

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Exploring Systematic Discrepancies in DFT Calculations of Chlorine Nuclear Quadrupole Couplings.
Ondřej Socha, Paul Hodgkinson, Cory M Widdifield, Jonathan R Yates, Martin Dračínský

J Phys Chem A· June 2017

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Does Z' equal 1 or 2? Enhanced powder NMR crystallography verification of a disordered room temperature crystal structure of a p38 inhibitor for chronic obstructive pulmonary disease.
Cory M Widdifield, Sten O Nilsson Lill, Anders Broo, Maria Lindkvist, Anna Pettersen

Phys Chem Chem Phys· June 2017

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Three-Dimensional Structure Determination of Surface Sites.
Pierrick Berruyer, Moreno Lelli, Matthew P Conley, Daniel L Silverio, Cory M Widdifield

J Am Chem Soc· January 2017

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Furosemide's one little hydrogen atom: NMR crystallography structure verification of powdered molecular organics.
Cory M Widdifield, Harry Robson, Paul Hodgkinson

Chem Commun (Camb)· May 2016

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Controlling the hydrogenolysis of silica-supported tungsten pentamethyl leads to a class of highly electron deficient partially alkylated metal hydrides.
Niladri Maity, Samir Barman, Emmanuel Callens, Manoja K Samantaray, Edy Abou-Hamad, Cory M Widdifield

Chem Sci· February 2016

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Na(+) mobility in sodium strontium silicate fast ion conductors.
Joseph R Peet, Cory M Widdifield, David C Apperley, Paul Hodgkinson, Mark R Johnson

Chem Commun (Camb)· December 2015

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Polymorphs of Theophylline Characterized by DNP Enhanced Solid-State NMR.
Arthur C Pinon, Aaron J Rossini, Cory M Widdifield, David Gajan, Lyndon Emsley

Mol Pharm· November 2015

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Cooperative Effect of Monopodal Silica-Supported Niobium Complex Pairs Enhancing Catalytic Cyclic Carbonate Production.
Valerio D'Elia, Hailin Dong, Aaron J Rossini, Cory M Widdifield, Sai V C Vummaleti

J Am Chem Soc· June 2015

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Solid-state (185/187)Re NMR and GIPAW DFT study of perrhenates and Re2(CO)10: chemical shift anisotropy, NMR crystallography, and a metal-metal bond.
Cory M Widdifield, Frédéric A Perras, David L Bryce

Phys Chem Chem Phys· April 2015

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Calcium-43 chemical shift and electric field gradient tensor interplay: a sensitive probe of structure, polymorphism, and hydration.
Cory M Widdifield, Igor Moudrakovski, David L Bryce

Phys Chem Chem Phys· July 2014

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Dynamic nuclear polarization enhanced NMR spectroscopy for pharmaceutical formulations.
Aaron J Rossini, Cory M Widdifield, Alexandre Zagdoun, Moreno Lelli, Martin Schwarzwälder

J Am Chem Soc· February 2014

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WMe6 tamed by silica: ≡Si-O-WMe5 as an efficient, well-defined species for alkane metathesis, leading to the observation of a supported W-methyl/methylidyne species.
Manoja K Samantaray, Emmanuel Callens, Edy Abou-Hamad, Aaron J Rossini, Cory M Widdifield

J Am Chem Soc· January 2014

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Multinuclear Solid-State Magnetic Resonance as a Sensitive Probe of Structural Changes upon the Occurrence of Halogen Bonding in Co-crystals.
Cory M Widdifield, Gabriella Cavallo, Glenn A Facey, Tullio Pilati, Jingxiang Lin

Chemistry· September 2013

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Powder crystallography of pharmaceutical materials by combined crystal structure prediction and solid-state 1H NMR spectroscopy.
Maria Baias, Cory M Widdifield, Jean-Nicolas Dumez, Hugh P G Thompson, Timothy G Cooper

Phys Chem Chem Phys· June 2013

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QUEST-QUadrupolar Exact SofTware: a fast graphical program for the exact simulation of NMR and NQR spectra for quadrupolar nuclei.
Frédéric A Perras, Cory M Widdifield, David L Bryce

Solid State Nucl Magn Reson· February 2013

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Definitive solid-state 185/187Re NMR spectral evidence for and analysis of the origin of high-order quadrupole-induced effects for I=5/2.
Cory M Widdifield, Alex D Bain, David L Bryce

Phys Chem Chem Phys· July 2011

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