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Robbie James Iuliucci - Publications

Affiliations: 
Washington and Jefferson College, Washington, PA, United States 
Area:
Nuclear magnetic resonance
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36 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2024 Holmes ST, Boley CM, Dewicki A, Gardner ZT, Vojvodin CS, Iuliucci RJ, Schurko RW. Carbon-13 chemical shift tensor measurements for nitrogen-dense compounds. Magnetic Resonance in Chemistry : Mrc. 62: 179-189. PMID 38230444 DOI: 10.1002/mrc.5422  0.418
2023 Iuliucci RJ, Hartman JD, Beran GJO. Do Models beyond Hybrid Density Functionals Increase the Agreement with Experiment for Predicted NMR Chemical Shifts or Electric Field Gradient Tensors in Organic Solids? The Journal of Physical Chemistry. A. 127: 2846-2858. PMID 36940431 DOI: 10.1021/acs.jpca.2c07657  0.392
2020 Holmes ST, Engl OG, Srnec MN, Madura JD, Quiñones R, Harper JK, Schurko RW, Iuliucci RJ. Chemical Shift Tensors of Cimetidine Form A Modeled with DFT Calculations: Implications for NMR Crystallography. The Journal of Physical Chemistry. A. PMID 32233483 DOI: 10.1021/Acs.Jpca.0C00421  0.505
2017 Quiñones R, Shoup D, Behnke G, Peck C, Agarwal S, Gupta RK, Fagan JW, Mueller KT, Iuliucci RJ, Wang Q. Study of Perfluorophosphonic Acid Surface Modifications on Zinc Oxide Nanoparticles. Materials (Basel, Switzerland). 10. PMID 29182559 DOI: 10.3390/Ma10121363  0.507
2017 Quiñones R, Iuliucci RJ, Behnke G, Brown R, Shoup D, Riedel TM, Plavchak C, Lininger BE, Spehar JM. Moving towards fast characterization of polymorphic drugs by solid-state NMR spectroscopy. Journal of Pharmaceutical and Biomedical Analysis. 148: 163-169. PMID 29035811 DOI: 10.1016/J.Jpba.2017.09.027  0.399
2017 Soss SE, Flynn PF, Iuliucci R, Young RP, Mueller LJ, Hartman J, Beran GJO, Harper J. Measuring and modeling highly accurate 15N chemical shift tensors in a peptide. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. PMID 28589651 DOI: 10.1002/Cphc.201700357  0.431
2017 Powell J, Valenti D, Bobnar H, Drain E, Elliott B, Frank S, McCullough T, Moore S, Kettring A, Iuliucci R, Harper JK. Evaluating the accuracy of theoretical one-bond (13) C-(13) C scalar couplings and their ability to predict structure in a natural product. Magnetic Resonance in Chemistry : Mrc. PMID 28557141 DOI: 10.1002/Mrc.4616  0.432
2017 Holmes ST, Bai S, Iuliucci RJ, Mueller KT, Dybowski C. Calculations of solid-state (43) Ca NMR parameters: A comparison of periodic and cluster approaches and an evaluation of DFT functionals. Journal of Computational Chemistry. PMID 28233952 DOI: 10.1002/Jcc.24763  0.599
2017 Holmes ST, Iuliucci RJ, Mueller KT, Dybowski C. Semi-empirical refinements of crystal structures using (17)O quadrupolar-coupling tensors. The Journal of Chemical Physics. 146: 064201. PMID 28201911 DOI: 10.1063/1.4975170  0.622
2016 Alkan F, Holmes ST, Iuliucci RJ, Mueller KT, Dybowski C. Spin-orbit effects on the (119)Sn magnetic-shielding tensor in solids: a ZORA/DFT investigation. Physical Chemistry Chemical Physics : Pccp. PMID 27354312 DOI: 10.1039/C6Cp03807G  0.625
2016 Holmes ST, Alkan F, Iuliucci RJ, Mueller KT, Dybowski C. Analysis of the bond-valence method for calculating (29) Si and (31) P magnetic shielding in covalent network solids. Journal of Computational Chemistry. PMID 27117609 DOI: 10.1002/Jcc.24389  0.608
2015 Holmes ST, Iuliucci RJ, Mueller KT, Dybowski C. Critical Analysis of Cluster Models and Exchange-Correlation Functionals for Calculating Magnetic Shielding in Molecular Solids. Journal of Chemical Theory and Computation. 11: 5229-41. PMID 26894239 DOI: 10.1021/Acs.Jctc.5B00752  0.646
2015 Kalakewich K, Iuliucci R, Mueller KT, Eloranta H, Harper JK. Monitoring the refinement of crystal structures with (15)N solid-state NMR shift tensor data. The Journal of Chemical Physics. 143: 194702. PMID 26590548 DOI: 10.1063/1.4935367  0.634
2015 Holmes ST, Iuliucci RJ, Mueller KT, Dybowski C. Critical analysis of cluster models and exchange-correlation functionals for calculating magnetic shielding in molecular solids Journal of Chemical Theory and Computation. 11: 5229-5241. DOI: 10.1021/acs.jctc.5b00752  0.562
2014 Holmes ST, Iuliucci RJ, Mueller KT, Dybowski C. Density functional investigation of intermolecular effects on 13C NMR chemical-shielding tensors modeled with molecular clusters. The Journal of Chemical Physics. 141: 164121. PMID 25362286 DOI: 10.1063/1.4900158  0.654
2014 Pacilio JE, Tokarski JT, Quiñones R, Iuliucci RJ. High-resolution solid-state NMR spectroscopy: Characterization of polymorphism in cimetidine, a pharmaceutical compound Journal of Chemical Education. 91: 1236-1239. DOI: 10.1021/Ed400353W  0.403
2013 Hoop CL, Iuliucci RJ. 13C chemical-shift anisotropy of alkyl-substituted aromatic carbon in anthracene derivatives. Solid State Nuclear Magnetic Resonance. 53: 1-12. PMID 23477865 DOI: 10.1016/J.Ssnmr.2013.01.004  0.469
2013 Harper JK, Iuliucci R, Gruber M, Kalakewich K. Refining crystal structures with experimental 13C NMR shift tensors and lattice-including electronic structure methods Crystengcomm. 15: 8693. DOI: 10.1039/C3Ce40108A  0.439
2013 Kalakewich K, Iuliucci R, Harper JK. Establishing Accurate High-Resolution Crystal Structures in the Absence of Diffraction Data and Single Crystals—An NMR Approach Crystal Growth & Design. 13: 5391-5396. DOI: 10.1021/Cg401294K  0.449
2009 Iuliucci R, Hoop CL, Arif AM, Harper JK, Pugmire RJ, Grant DM. Redetermination of 1,4-dimethoxy-benzene. Acta Crystallographica. Section E, Structure Reports Online. 65: o251. PMID 21581867 DOI: 10.1107/S1600536808044231  0.64
2009 Johnston JC, Iuliucci RJ, Facelli JC, Fitzgerald G, Mueller KT. Intermolecular shielding contributions studied by modeling the (13)C chemical-shift tensors of organic single crystals with plane waves. The Journal of Chemical Physics. 131: 144503. PMID 19831448 DOI: 10.1063/1.3225270  0.664
2006 Iuliucci R, Taylor C, Hollis WK. (1)H/(29)Si cross-polarization NMR experiments of silica-reinforced polydimethylsiloxane elastomers: probing the polymer-filler interface. Magnetic Resonance in Chemistry : Mrc. 44: 375-84. PMID 16477678 DOI: 10.1002/Mrc.1763  0.311
2006 Sefzik TH, Fidler JM, Iuliucci RJ, Facelli JC. Modeling the (13)C chemical-shift tensor in organic single crystals by quantum mechanical methods: finite basis set effects. Magnetic Resonance in Chemistry : Mrc. 44: 390-400. PMID 16477672 DOI: 10.1002/Mrc.1770  0.493
2005 Sefzik TH, Turco D, Iuliucci RJ, Facelli JC. Modeling NMR chemical shift: A survey of density functional theory approaches for calculating tensor properties. The Journal of Physical Chemistry. A. 109: 1180-7. PMID 16833428 DOI: 10.1021/Jp0455780  0.463
2003 Iuliucci RJ, Clawson J, Hu JZ, Solum MS, Barich D, Grant DM, Taylor CM. Ring-chain tautomerism in solid-phase erythromycin A: evidence by solid-state NMR. Solid State Nuclear Magnetic Resonance. 24: 23-38. PMID 12850255 DOI: 10.1016/S0926-2040(03)00029-8  0.716
2001 Barich DH, Pugmire RJ, Grant DM, Iuliucci RJ. Investigation of the structural conformation of biphenyl by solid state 13C NMR and quantum chemical NMR shift calculations Journal of Physical Chemistry A. 105: 6780-6784. DOI: 10.1021/Jp004314K  0.659
1998 Iuliucci RJ, Meier BH. A characterization of the linear P-O-P bonds in M4+(P2O7) compounds: Bond-angle determination by solid-state NMR Journal of the American Chemical Society. 120: 9059-9062. DOI: 10.1021/Ja980594U  0.559
1998 Iuliucci RJ, Phung CG, Facelli JC, Grant DM. Carbon-13 chemical shift tensors in polycyclic aromatic compounds. 7.1 Symmetry augmented chemical shift - Chemical shift correlation spectroscopy and single crystal study of triphenylene Journal of the American Chemical Society. 120: 9305-9311. DOI: 10.1021/Ja972468G  0.62
1997 Baldus M, Iuliucci RJ, Meier BH. Probing through-bond connectivities and through-space distances in solids by magic-angle-spinning nuclear magnetic resonance Journal of the American Chemical Society. 119: 1121-1124. DOI: 10.1021/Ja9622259  0.557
1996 Iuliucci RJ, Grant DM. One dimensional chemical shift modulated correlation spectroscopy of single-crystals. Solid State Nuclear Magnetic Resonance. 6: 55-62. PMID 8925266 DOI: 10.1016/0926-2040(95)01209-5  0.541
1996 Iuliucci RJ, Phung CG, Facelli JC, Grant DM. Carbon-13 Chemical Shift Tensors in Polycyclic Aromatic Compounds. 6.1Single-Crystal Study of Perylene Journal of the American Chemical Society. 118: 4880-4888. DOI: 10.1021/Ja954052D  0.495
1996 Iuliucci RJ, Phung CG, Facelli JC, Grant DM. Carbon-13 chemical shift tensors in polycyclic aromatic compounds. 6.1 single-crystal study of perylene Journal of the American Chemical Society. 118: 4880-4888.  0.413
1995 Grant DM, Liu F, Iuliucci RJ, Phung CG, Facelli JC, Alderman DW. Relationship of 13C NMR chemical shift tensors to diffraction structures. Acta Crystallographica. Section B, Structural Science. 51: 540-6. PMID 7646838 DOI: 10.1107/S0108768195000383  0.625
1995 Grant DM, Liu F, Iuliucci RJ, Phung CG, Facelli JC, Alderman DW. Relationship of 13C NMR chemical shift tensors to diffraction structures Acta Crystallographica Section B. 51: 540-546. DOI: 10.1107/S0108768195000383  0.55
1995 Iuliucci RJ, Facelli JC, Alderman DW, Grant DM. Carbon-13 Chemical Shift Tensors in Polycyclic Aromatic Compounds. 5. Single-Crystal Study of Acenaphthene Journal of the American Chemical Society. 117: 2336-2343. DOI: 10.1021/Ja00113A023  0.522
1995 Iuliucci RJ, Facelli JC, Alderman DW, Grant DM. Carbon-13 chemical shift tensors in polycyclic aromatic compounds. 5.1 single-crystal study of acenaphthene Journal of the American Chemical Society. 117: 2336-2343.  0.449
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