Result Number | Material Type | Add to My Shelf Action | Record Details and Options |
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1 |
Material Type: Artigo
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Predicting 51V nuclear magnetic resonance observables in molecular crystalsHartman, Joshua D ; Capistran, DanielMagnetic resonance in chemistry, 2024-06, Vol.62 (6), p.416-428 [Periódico revisado por pares]Bognor Regis: Wiley Subscription Services, IncTexto completo disponível |
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2 |
Material Type: Artigo
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Predicting 51 V nuclear magnetic resonance observables in molecular crystalsHartman, Joshua D ; Capistran, DanielMagnetic resonance in chemistry, 2024-06, Vol.62 (6), p.416-428 [Periódico revisado por pares]EnglandTexto completo disponível |
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3 |
Material Type: Artigo
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Improving the accuracy of GIPAW chemical shielding calculations with cluster and fragment correctionsHartman, Joshua D. ; Harper, James K.Solid state nuclear magnetic resonance, 2022-12, Vol.122, p.101832-101832, Article 101832 [Periódico revisado por pares]Netherlands: Elsevier IncTexto completo disponível |
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4 |
Material Type: Artigo
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Accurate fragment-based 51-V chemical shift predictions in molecular crystalsMathews, Amanda ; Hartman, Joshua D.Solid state nuclear magnetic resonance, 2021-08, Vol.114, p.101733-101733, Article 101733 [Periódico revisado por pares]Netherlands: Elsevier IncTexto completo disponível |
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5 |
Material Type: Artigo
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Fragment-based 13C nuclear magnetic resonance chemical shift predictions in molecular crystals: An alternative to planewave methodsHartman, Joshua D. ; Monaco, Stephen ; Schatschneider, Bohdan ; Beran, Gregory J. O.The Journal of chemical physics, 2015-09, Vol.143 (10) [Periódico revisado por pares]Melville: American Institute of PhysicsTexto completo disponível |
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6 |
Material Type: Artigo
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Selective anion sensing in high salt water via a remote indicator displacement assayHickey, Briana L ; Raz, Alexie Andrea P ; Chen, Junyi ; Moreno, Jr, Jose L ; Hartman, Joshua D ; Zhong, Wenwan ; Hooley, Richard JChemical communications (Cambridge, England), 2023-06, Vol.59 (50), p.7819-7822 [Periódico revisado por pares]England: Royal Society of ChemistryTexto completo disponível |
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7 |
Material Type: Artigo
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Predicting 35-Cl electric field gradient tensors in crystalline solids using cluster and fragment-corrected planewave density functional theoryCapistran, Daniel ; Harper, James K. ; Hartman, Joshua D.Solid state nuclear magnetic resonance, 2024-10, Vol.133, p.101949, Article 101949 [Periódico revisado por pares]Elsevier IncTexto completo disponível |
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8 |
Material Type: Artigo
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Measuring and modeling anisotropy in the NMR of solidsHarper, James K. ; Hartman, Joshua D.Magnetic resonance in chemistry, 2024-03, Vol.62 (3), p.124-124 [Periódico revisado por pares]England: Wiley Subscription Services, IncTexto completo disponível |
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9 |
Material Type: Artigo
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Do Models beyond Hybrid Density Functionals Increase the Agreement with Experiment for Predicted NMR Chemical Shifts or Electric Field Gradient Tensors in Organic Solids?Iuliucci, Robbie J. ; Hartman, Joshua D. ; Beran, Gregory J. O.The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2023-03, Vol.127 (12), p.2846-2858 [Periódico revisado por pares]United States: American Chemical SocietyTexto completo disponível |
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10 |
Material Type: Artigo
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Benchmark fragment-based (1)H, (13)C, (15)N and (17)O chemical shift predictions in molecular crystalsHartman, Joshua D ; Kudla, Ryan A ; Day, Graeme M ; Mueller, Leonard J ; Beran, Gregory J OPhysical chemistry chemical physics : PCCP, 2016-08, Vol.18 (31), p.21686-21709 [Periódico revisado por pares]EnglandTexto completo disponível |