Publications by authors named "Robbie Iuliucci"

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A Novel Solid Form of Erlotinib: Synthesis by Heterogeneous Complexation and Characterization by NMR Crystallography.
Sean T Holmes, Ren A Wiscons, Kerrigan Parks, Sarah Nickel, Halie S Ankeny, Robbie J Iuliucci

Cryst Growth Des· May 2025

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Carbon-13 chemical shift tensor measurements for nitrogen-dense compounds.
Sean T Holmes, Cameron M Boley, Angelika Dewicki, Zachary T Gardner, Cameron S Vojvodin, Robbie J Iuliucci

Magn Reson Chem· March 2024

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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?
Robbie J Iuliucci, Joshua D Hartman, Gregory J O Beran

J Phys Chem A· March 2023

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The Scientific Method as a Scaffold to Enhance Communication Skills in Chemistry.
Thomas D Montgomery, Joanne Rae Buchbinder, Ellen S Gawalt, Robbie J Iuliucci, Andrew S Koch

J Chem Educ· June 2022

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Chemical Shift Tensors of Cimetidine Form A Modeled with Density Functional Theory Calculations: Implications for NMR Crystallography.
Sean T Holmes, Olivia G Engl, Matthew N Srnec, Jeffry D Madura, Rosalynn Quiñones, Robbie J Iuliucci

J Phys Chem A· April 2020

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Moving towards fast characterization of polymorphic drugs by solid-state NMR spectroscopy.
Rosalynn Quiñones, Robbie J Iuliucci, Grayce Behnke, Ryanne Brown, Deben Shoup

J Pharm Biomed Anal· January 2018

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Evaluating the accuracy of theoretical one-bond C─ C scalar couplings and their ability to predict structure in a natural product.
Jacob Powell, Domenic Valenti, Harley Bobnar, Erika Drain, Blaine Elliott, Robbie Iuliucci

Magn Reson Chem· November 2017

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Study of Perfluorophosphonic Acid Surface Modifications on Zinc Oxide Nanoparticles.
Rosalynn Quiñones, Deben Shoup, Grayce Behnke, Cynthia Peck, Sushant Agarwal, Robbie J Iuliucci

Materials (Basel)· November 2017

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Measuring and Modeling Highly Accurate N Chemical Shift Tensors in a Peptide.
Sarah E Soss, Peter F Flynn, Robbie J Iuliucci, Robert P Young, Leonard J Mueller

Chemphyschem· August 2017

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Calculations of solid-state Ca NMR parameters: A comparison of periodic and cluster approaches and an evaluation of DFT functionals.
Sean T Holmes, Shi Bai, Robbie J Iuliucci, Karl T Mueller, Cecil Dybowski

J Comput Chem· May 2017

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Semi-empirical refinements of crystal structures using O quadrupolar-coupling tensors.
Sean T Holmes, Robbie J Iuliucci, Karl T Mueller, Cecil Dybowski

J Chem Phys· February 2017

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Analysis of the bond-valence method for calculating (29) Si and (31) P magnetic shielding in covalent network solids.
Sean T Holmes, Fahri Alkan, Robbie J Iuliucci, Karl T Mueller, Cecil Dybowski

J Comput Chem· July 2016

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Spin-orbit effects on the (119)Sn magnetic-shielding tensor in solids: a ZORA/DFT investigation.
Fahri Alkan, Sean T Holmes, Robbie J Iuliucci, Karl T Mueller, Cecil Dybowski

Phys Chem Chem Phys· July 2016

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Monitoring the refinement of crystal structures with (15)N solid-state NMR shift tensor data.
Keyton Kalakewich, Robbie Iuliucci, Karl T Mueller, Harriet Eloranta, James K Harper

J Chem Phys· November 2015

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Critical Analysis of Cluster Models and Exchange-Correlation Functionals for Calculating Magnetic Shielding in Molecular Solids.
Sean T Holmes, Robbie J Iuliucci, Karl T Mueller, Cecil Dybowski

J Chem Theory Comput· November 2015

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Density functional investigation of intermolecular effects on 13C NMR chemical-shielding tensors modeled with molecular clusters.
Sean T Holmes, Robbie J Iuliucci, Karl T Mueller, Cecil Dybowski

J Chem Phys· October 2014

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13C chemical-shift anisotropy of alkyl-substituted aromatic carbon in anthracene derivatives.
Cody L Hoop, Robbie J Iuliucci

Solid State Nucl Magn Reson· June 2013

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Intermolecular shielding contributions studied by modeling the (13)C chemical-shift tensors of organic single crystals with plane waves.
Jessica C Johnston, Robbie J Iuliucci, Julio C Facelli, George Fitzgerald, Karl T Mueller

J Chem Phys· October 2009

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Redetermination of 1,4-dimethoxy-benzene.
Robbie Iuliucci, Cody L Hoop, Atta M Arif, James K Harper, Ronald J Pugmire

Acta Crystallogr Sect E Struct Rep Online· January 2009

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Modeling the (13)C chemical-shift tensor in organic single crystals by quantum mechanical methods: finite basis set effects.
Travis H Sefzik, Jacqueline M Fidler, Robbie J Iuliucci, Julio C Facelli

Magn Reson Chem· March 2006

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(1)H/(29)Si cross-polarization NMR experiments of silica-reinforced polydimethylsiloxane elastomers: probing the polymer-filler interface.
Robbie Iuliucci, Craig Taylor, W Kirk Hollis

Magn Reson Chem· March 2006

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Modeling NMR chemical shift: A survey of density functional theory approaches for calculating tensor properties.
Travis H Sefzik, Domenic Turco, Robbie J Iuliucci, Julio C Facelli

J Phys Chem A· February 2005

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Ring-chain tautomerism in solid-phase erythromycin A: evidence by solid-state NMR.
Robbie J Iuliucci, Jacalyn Clawson, Jain Zhi Hu, Mark S Solum, Dewy Barich

Solid State Nucl Magn Reson· August 2003

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