| Probing through-bond connectivities and through-space distances in solids by magic-angle-spinning nuclear magnetic resonance M Baldus, RJ Iuliucci, BH Meier Journal of the American Chemical Society 119 (5), 1121-1124, 1997 | 112 | 1997 |
| Modeling NMR chemical shift: A survey of density functional theory approaches for calculating tensor properties TH Sefzik, D Turco, RJ Iuliucci, JC Facelli The Journal of Physical Chemistry A 109 (6), 1180-1187, 2005 | 86 | 2005 |
| Intermolecular shielding contributions studied by modeling the C13 chemical-shift tensors of organic single crystals with plane waves JC Johnston, RJ Iuliucci, JC Facelli, G Fitzgerald, KT Mueller The Journal of chemical physics 131 (14), 2009 | 85 | 2009 |
| Critical analysis of cluster models and exchange-correlation functionals for calculating magnetic shielding in molecular solids ST Holmes, RJ Iuliucci, KT Mueller, C Dybowski Journal of Chemical Theory and Computation 11 (11), 5229-5241, 2015 | 68 | 2015 |
| Investigation of the Structural Conformation of Biphenyl by Solid State 13C NMR and Quantum Chemical NMR Shift Calculations DH Barich, RJ Pugmire, DM Grant, RJ Iuliucci The Journal of Physical Chemistry A 105 (28), 6780-6784, 2001 | 66 | 2001 |
| Density functional investigation of intermolecular effects on 13C NMR chemical-shielding tensors modeled with molecular clusters ST Holmes, RJ Iuliucci, KT Mueller, C Dybowski The Journal of Chemical Physics 141 (16), 2014 | 61 | 2014 |
| Refining crystal structures with experimental 13C NMR shift tensors and lattice-including electronic structure methods JK Harper, R Iuliucci, M Gruber, K Kalakewich CrystEngComm 15 (43), 8693-8704, 2013 | 58 | 2013 |
| Carbon-13 chemical shift tensors in polycyclic aromatic compounds. 5. Single-crystal study of acenaphthene RJ Iuliucci, JC Facelli, DW Alderman, DM Grant Journal of the American Chemical Society 117 (8), 2336-2343, 1995 | 56 | 1995 |
| Investigation of phosphonic acid surface modifications on zinc oxide nanoparticles under ambient conditions R Quiñones, K Rodriguez, RJ Iuliucci Thin Solid Films 565, 155-164, 2014 | 54 | 2014 |
| Study of perfluorophosphonic acid surface modifications on zinc oxide nanoparticles R Quiñones, D Shoup, G Behnke, C Peck, S Agarwal, RK Gupta, ... Materials 10 (12), 1363, 2017 | 50 | 2017 |
| Relationship of 13C NMR chemical shift tensors to diffraction structures DM Grant, F Liu, RJ Iuliucci, CG Phung, JC Facelli, DW Alderman Acta Crystallographica Section B: Structural Science 51 (4), 540-546, 1995 | 49 | 1995 |
| Carbon-13 Chemical Shift Tensors in Polycyclic Aromatic Compounds. 6.1 Single-Crystal Study of Perylene RJ Iuliucci, CG Phung, JC Facelli, DM Grant Journal of the American Chemical Society 118 (20), 4880-4888, 1996 | 45 | 1996 |
| Establishing Accurate High-Resolution Crystal Structures in the Absence of Diffraction Data and Single Crystals An NMR Approach K Kalakewich, R Iuliucci, JK Harper Crystal growth & design 13 (12), 5391-5396, 2013 | 39 | 2013 |
| Carbon-13 Chemical Shift Tensors in Polycyclic Aromatic Compounds. 7.1 Symmetry Augmented Chemical Shift−Chemical Shift Correlation Spectroscopy and … RJ Iuliucci, CG Phung, JC Facelli, DM Grant Journal of the American Chemical Society 120 (36), 9305-9311, 1998 | 39 | 1998 |
| Monitoring the refinement of crystal structures with 15N solid-state NMR shift tensor data K Kalakewich, R Iuliucci, KT Mueller, H Eloranta, JK Harper The Journal of Chemical Physics 143 (19), 2015 | 38 | 2015 |
| Chemical shift tensors of cimetidine form A modeled with density functional theory calculations: implications for NMR crystallography ST Holmes, OG Engl, MN Srnec, JD Madura, R Quinones, JK Harper, ... The Journal of Physical Chemistry A 124 (16), 3109-3119, 2020 | 36 | 2020 |
| Semi-empirical refinements of crystal structures using 17O quadrupolar-coupling tensors ST Holmes, RJ Iuliucci, KT Mueller, C Dybowski The Journal of Chemical Physics 146 (6), 2017 | 32 | 2017 |
| A Characterization of the Linear P−O−P Bonds in M4+(P2O7) Compounds: Bond-Angle Determination by Solid-State NMR RJ Iuliucci, BH Meier Journal of the American Chemical Society 120 (35), 9059-9062, 1998 | 30 | 1998 |
| Calculations of solid‐state 43Ca NMR parameters: A comparison of periodic and cluster approaches and an evaluation of DFT functionals ST Holmes, S Bai, RJ Iuliucci, KT Mueller, C Dybowski Journal of Computational Chemistry 38 (13), 949-956, 2017 | 23 | 2017 |
| Modeling the 13C chemical‐shift tensor in organic single crystals by quantum mechanical methods: finite basis set effects TH Sefzik, JM Fidler, RJ Iuliucci, JC Facelli Magnetic Resonance in Chemistry 44 (3), 390-400, 2006 | 23 | 2006 |
