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Bohdan Schatschneider
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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
612013
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
602016
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), 102809, 2015
602015
Electrodynamic response and stability of molecular crystals
B Schatschneider, JJ Liang, AM Reilly, N Marom, GX Zhang, ...
Physical Review B 87 (6), 060104, 2013
452013
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
282011
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
242014
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
242012
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
222016
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
212019
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), 184101, 2018
182018
Simulated pressure response of crystalline indole
B Schatschneider, JJ Liang
The Journal of chemical physics 135 (16), 164508, 2011
182011
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
162011
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
112020
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
112017
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
102008
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
82007
High-throughput pressure-dependent density functional theory investigation of herringbone polycyclic aromatic hydrocarbons: part 1. pressure-dependent structure trends
M Hammouri, TM Garcia, C Cook, S Monaco, S Jezowski, N Marom, ...
The Journal of Physical Chemistry C 122 (42), 23815-23827, 2018
62018
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
62018
UV–Vis absorption study of some tetragonal chromium (III) complexes
B Schatschneider, JR Perumareddi
Inorganica chimica acta 358 (15), 4571-4574, 2005
62005
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
42019
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Articles 1–20