| Fragment-based 13C nuclear magnetic resonance chemical shift predictions in molecular crystals: An alternative to planewave methods JD Hartman, S Monaco, B Schatschneider, GJO Beran The Journal of Chemical Physics 143 (10), 2015 | 83 | 2015 |
| Effect of crystal packing on the excitonic properties of rubrene polymorphs X Wang, T Garcia, S Monaco, B Schatschneider, N Marom CrystEngComm 18 (38), 7353-7362, 2016 | 80 | 2016 |
| Understanding the structure and electronic properties of molecular crystals under pressure: application of dispersion corrected DFT to oligoacenes B Schatschneider, S Monaco, A Tkatchenko, JJ Liang The Journal of Physical Chemistry A 117 (34), 8323-8331, 2013 | 74 | 2013 |
| Electrodynamic response and stability of molecular crystals B Schatschneider, JJ Liang, AM Reilly, N Marom, GX Zhang, ... Physical Review B—Condensed Matter and Materials Physics 87 (6), 060104, 2013 | 47 | 2013 |
| Crystal structure of the meta-stable intermediate in the photomechanical, crystal-to-crystal reaction of 9-tert-butyl anthracene ester C Yang, L Zhu, RA Kudla, JD Hartman, RO Al-Kaysi, S Monaco, ... CrystEngComm 18 (38), 7319-7329, 2016 | 36 | 2016 |
| Phenylated acene derivatives as candidates for intermolecular singlet fission X Wang, X Liu, R Tom, C Cook, B Schatschneider, N Marom The Journal of Physical Chemistry C 123 (10), 5890-5899, 2019 | 34 | 2019 |
| A new parameter for classification of polycyclic aromatic hydrocarbon crystalline motifs: a Hirshfeld surface investigation B Schatschneider, J Phelps, S Jezowski CrystEngComm 13 (24), 7216-7223, 2011 | 32 | 2011 |
| High-throughput investigation of the geometry and electronic structures of gas-phase and crystalline polycyclic aromatic hydrocarbons B Schatschneider, S Monaco, JJ Liang, A Tkatchenko The Journal of Physical Chemistry C 118 (34), 19964-19974, 2014 | 31 | 2014 |
| On the possibility of singlet fission in crystalline quaterrylene X Wang, X Liu, C Cook, B Schatschneider, N Marom The Journal of chemical physics 148 (18), 2018 | 29 | 2018 |
| Pyrene-stabilized acenes as intermolecular singlet fission candidates: importance of exciton wave-function convergence X Liu, R Tom, X Wang, C Cook, B Schatschneider, N Marom Journal of Physics: Condensed Matter 32 (18), 184001, 2020 | 24 | 2020 |
| Phase transition between cubic and monoclinic polymorphs of the tetracyanoethylene crystal: the role of temperature and kinetics B Schatschneider, JJ Liang, S Jezowski, A Tkatchenko CrystEngComm 14 (14), 4656-4663, 2012 | 24 | 2012 |
| Simulated pressure response of crystalline indole B Schatschneider, JJ Liang The Journal of chemical physics 135 (16), 2011 | 18 | 2011 |
| Unlocking the electronic genome of halogenobenzenes SR Jezowski, R Baer, S Monaco, CA Mora-Perez, B Schatschneider Physical Chemistry Chemical Physics 19 (5), 4093-4103, 2017 | 16 | 2017 |
| Molecular Simulation of the Pressure-Induced Crystallographic Phase Transition of p-Terphenyl B Schatschneider, EL Chronister The Journal of Physical Chemistry B 115 (3), 407-413, 2011 | 16 | 2011 |
| High-throughput pressure-dependent density functional theory investigation of herringbone polycyclic aromatic hydrocarbons: part 2. Pressure-dependent electronic properties M Hammouri, TM Garcia, C Cook, S Monaco, S Jezowski, N Marom, ... The Journal of Physical Chemistry C 122 (42), 23828-23844, 2018 | 13 | 2018 |
| Molecular dynamics simulations of temperature- and pressure-induced solid–solid phase transitions in crystalline para-terphenyl B Schatschneider, EL Chronister Molecular Simulation 34 (10-15), 1159-1166, 2008 | 11 | 2008 |
| Anomalous pressure dependence of the electronic properties of molecular crystals explained by changes in intermolecular electronic coupling M Yu, X Wang, XF Du, C Kunkel, TM Garcia, S Monaco, B Schatschneider, ... Synthetic Metals 253, 9-19, 2019 | 9 | 2019 |
| High-resolution FTIR study of the para-terphenyl phase transition at high pressure B Schatschneider, EL Chronister Journal of luminescence 127 (1), 34-40, 2007 | 8 | 2007 |
| UV–Vis absorption study of some tetragonal chromium (III) complexes B Schatschneider, JR Perumareddi Inorganica chimica acta 358 (15), 4571-4574, 2005 | 7 | 2005 |
| High-Throughput Pressure Dependent DFT Investigation of Herringbone Polycyclic Aromatic Hydrocarbons (HB-PAHs): Part 1. Pressure Dependent Structure Trends M Hammouri, TM Garcia, C Cook, N Marom, B Schatschneider J. Phys. Chem. C 42, 23815-23827, 2018 | 6 | 2018 |
Noa MaromAssociate Professor, Materials Science and Engineering, Carnegie Mellon UniversityDirección de correo verificada de andrew.cmu.edu