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 | 590 | 2016 |
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 | 526 | 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 | 476 | 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 | 456 | 2011 |
The National COVID Cohort Collaborative (N3C): rationale, design, infrastructure, and deployment MA Haendel, CG Chute, TD Bennett, DA Eichmann, J Guinney, WA Kibbe, ... Journal of the American Medical Informatics Association 28 (3), 427-443, 2021 | 418 | 2021 |
Development of a definition of postacute sequelae of SARS-CoV-2 infection T Thaweethai, SE Jolley, EW Karlson, EB Levitan, B Levy, GA McComsey, ... Jama 329 (22), 1934-1946, 2023 | 301 | 2023 |
Clinical characterization and prediction of clinical severity of SARS-CoV-2 infection among US adults using data from the US National COVID Cohort Collaborative TD Bennett, RA Moffitt, JG Hajagos, B Amor, A Anand, MM Bissell, ... JAMA network open 4 (7), e2116901-e2116901, 2021 | 191 | 2021 |
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 | 187 | 1984 |
Chemical shift tensors: Theory and application to molecular structural problems JC Facelli Progress in nuclear magnetic resonance spectroscopy 58 (3-4), 176, 2011 | 149 | 2011 |
Determination of molecular symmetry in crystalline naphthalene using solid-state NMR JC Facelli, DM Grant Nature 365 (6444), 325-327, 1993 | 129 | 1993 |
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 | 127 | 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 | 127 | 1988 |
Calculations of chemical shieldings: Theory and applications JC Facelli Concepts in Magnetic Resonance Part A: An Educational Journal 20 (1), 42-69, 2004 | 123 | 2004 |
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 | 118 | 2013 |
A review of the applications of data mining and machine learning for the prediction of biomedical properties of nanoparticles DE Jones, H Ghandehari, JC Facelli Computer methods and programs in biomedicine 132, 93-103, 2016 | 111 | 2016 |
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 | 102 | 2002 |
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 | 93 | 2014 |
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 | 92 | 1998 |
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 | 92 | 1996 |
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 | 89 | 1988 |