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Accounts of Chemical Research|October 19, 2016
Predicting Molecular Crystal Properties from First Principles: Finite-Temperature Thermochemistry to NMR CrystallographyGregory J O Beran, Joshua D Hartman, Yonaton N Heit
The Journal of Physical Chemistry. A|March 20, 2023
Do Models beyond Hybrid Density Functionals Increase the Agreement with Experiment for Predicted NMR Chemical Shifts or Electric Field Gradient Tensors in Organic Solids?Robbie J Iuliucci, Joshua D Hartman, Gregory J O Beran
The Journal of Chemical Physics|September 17, 2015
Fragment-based (13)C nuclear magnetic resonance chemical shift predictions in molecular crystals: An alternative to planewave methodsJoshua D Hartman, Stephen Monaco, Bohdan Schatschneider, et al.
Physical Chemistry Chemical Physics : PCCP|July 20, 2016
Benchmark fragment-based (1)H, (13)C, (15)N and (17)O chemical shift predictions in molecular crystalsJoshua D Hartman, Ryan A Kudla, Graeme M Day, et al.
Journal of Biomolecular NMR|May 22, 2015
Converging nuclear magnetic shielding calculations with respect to basis and system size in protein systemsJoshua D Hartman, Thomas J Neubauer, Bethany G Caulkins, et al.
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry|February 19, 2021
Modeling Small Structural and Environmental Differences in Solids with 15 N NMR Chemical Shift TensorsLuther Wang, Alexander B Elliott, Sean D Moore, et al.
Chemical Communications (Cambridge, England)|June 5, 2023
Selective anion sensing in high salt waterBriana L Hickey, Alexie Andrea P Raz, Junyi Chen, et al.
Chemical Communications (Cambridge, England)|September 19, 2025
Size- and shape-selective substrate deuteration catalyzed by a water-soluble synthetic receptorAnastasia Karavasili, Jose L Moreno, Grant J Stucky, et al.
Biorxiv : the Preprint Server for Biology|October 10, 2024
Systemic deficits in lipid homeostasis promote aging-associated impairments in B cell progenitor developmentSilvia Vicenzi, Fangyuan Gao, Parker Côté, et al.
Geroscience|April 15, 2025
Systemic deficits in lipid homeostasis promote aging-associated impairments in B cell progenitor developmentSilvia Vicenzi, Fangyuan Gao, Parker Côté, et al.
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