JC Facelli
JC Facelli
Professor of Biomedical Inforamtics
Verified email at utah.edu
Cited by
Cited by
A third blind test of crystal structure prediction
GM Day, WDS Motherwell, HL Ammon, SXM Boerrigter, RG Della Valle, ...
Acta Crystallographica Section B: Structural Science 61 (5), 511-527, 2005
Significant progress in predicting the crystal structures of small organic molecules–a report on the fourth blind test
GM Day, TG Cooper, AJ Cruz-Cabeza, KE Hejczyk, HL Ammon, ...
Acta Crystallographica Section B: Structural Science 65 (2), 107-125, 2009
Towards crystal structure prediction of complex organic compounds–a report on the fifth blind test
DA Bardwell, CS Adjiman, YA Arnautova, E Bartashevich, SXM Boerrigter, ...
Acta Crystallographica Section B: Structural Science 67 (6), 535-551, 2011
Report on the sixth blind test of organic crystal structure prediction methods
AM Reilly, RI Cooper, CS Adjiman, S Bhattacharya, AD Boese, ...
Acta Crystallographica Section B: Structural Science, Crystal Engineering …, 2016
Low-temperature carbon-13 magnetic resonance in solids. 3. Linear and pseudolinear molecules
AJ Beeler, AM Orendt, DM Grant, PW Cutts, J Michl, KW Zilm, ...
Journal of the American Chemical Society 106 (25), 7672-7676, 1984
15N chemical shift principal values in nitrogen heterocycles
MS Solum, KL Altmann, M Strohmeier, DA Berges, Y Zhang, JC Facelli, ...
Journal of the American Chemical Society 119 (41), 9804-9809, 1997
Vibrational and electronic spectra of matrix-isolated nitrogen trimer radical and azide
R Tian, JC Facelli, J Michl
The Journal of Physical Chemistry 92 (14), 4073-4079, 1988
Determination of molecular symmetry in crystalline naphthalene using solid-state NMR
JC Facelli, DM Grant
Nature 365 (6444), 325-327, 1993
Calculations of chemical shieldings: Theory and applications
JC Facelli
Concepts in Magnetic Resonance Part A: An Educational Journal 20 (1), 42-69, 2004
Chemical shift tensors: Theory and application to molecular structural problems
JC Facelli
Progress in nuclear magnetic resonance spectroscopy 58 (3-4), 176, 2011
15N chemical shift tensors in nucleic acid bases
JZ Hu, JC Facelli, DW Alderman, RJ Pugmire, DM Grant
Journal of the American Chemical Society 120 (38), 9863-9869, 1998
Modified genetic algorithm to model crystal structures. I. Benzene, naphthalene and anthracene
VE Bazterra, MB Ferraro, JC Facelli
The Journal of Chemical Physics 116 (14), 5984-5991, 2002
Carbon-13 NMR and polarized IR spectra of vicinally labeled cyclobutadiene-13C2 in an argon matrix: interconversion of valence tautomers
AM Orendt, BR Arnold, JG Radziszewski, JC Facelli, KD Malsch, H Strub, ...
Journal of the American Chemical Society 110 (8), 2648-2650, 1988
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
Three-dimensional structure of the Siskin Green River Oil Shale Kerogen Model: a comparison between calculated and observed properties
AM Orendt, ISO Pimienta, SR Badu, MS Solum, RJ Pugmire, JC Facelli, ...
Energy & Fuels 27 (2), 702-710, 2013
Intermolecular shielding contributions studied by modeling the 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), 144503, 2009
Effects of Hydrogen Bonding in the Calculation of 15N Chemical Shift Tensors:  Benzamide
JC Facelli, RJ Pugmire, DM Grant
Journal of the American Chemical Society 118 (23), 5488-5489, 1996
13C Dipolar NMR Spectrum of Matrix-Isolated o-Benzyne-1, 2-13 C 2
AM Orendt, JC Facelli, JG Radziszewski, WJ Horton, DM Grant, J Michl
Journal of the American Chemical Society 118 (4), 846-852, 1996
pSCANNER: Patient-centered scalable national network for effectiveness research
L Ohno-Machado, Z Agha, DS Bell, L Dahm, ME Day, JN Doctor, ...
Journal of the American Medical Informatics Association 21 (4), 621-626, 2014
A comparison of the IGLO and LORG methods for the calculations of nuclear magnetic shieldings
JC Facelli, DM Grant, TD Bouman, AE Hansen
Journal of computational chemistry 11 (1), 32-44, 1990
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