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Naphthalene

B Chang, J Zhou, N Lee, M Bernardi, Intermediate polaronic charge transport in organic crystals from a many-body first-principles approach, npj Comput Mater 8, 63 (2022) – doi

F Brown-Altvater, G Antonius, T Rangel, M Giantomassi, C Draxl, X Gonze, S G Louie, J B Neaton, Band gap renormalization, carrier mobilities, and the electron-phonon self-energy in crystalline naphthalene, PRB 101, 165102 (2020) – doi, slides

N Lee, J Zhou, L Agapito, M Bernardi, Charge transport in organic molecular semiconductors from first principles: The bandlike hole mobility in a naphthalene crystal, PRB 97, 115203 (2018)

F Brown-Altvater, T Rangel, J B Neaton, Ab initio phonon dispersion in crystalline naphthalene using van der Waals density functionals, PRB 93, 195206 (2016)

A Likhacheva, S Rashchenko, K Litasov, High-pressure structural properties of naphthalene up to 6 GPa, J Appl Cryst 47, 984 (2014) – cif

Q Meng, H D Meyer, A multilayer MCTDH study on the full dimensional vibronic dynamics of naphthalene and anthracene cations, JCP 138, 014313 (2013) – fig

N Vukmirovic, C Bruder, V M Stojanovic, Electron-Phonon Coupling in Crystalline Organic Semiconductors: Microscopic Evidence for Nonpolaronic Charge Carriers, PRL 109, 126407 (2012)

V Coropceanu, R S Sanchez-Carrera, P Paramonov, G M Day, J L Bredas, Interaction of charge carriers with lattice vibrations in organic molecular semiconductors: naphthalene as a case study, JPCC 113, 4679 (2009)

L J Wang, Q K Li, Z Shuai, Effects of pressure and temperature on the carrier transports in organic crystal: A first-principles study, JCP 128, 194706 (2008)

L J Wang, Q Peng, Q K Li, Z Shuai, Roles of inter- and intramolecular vibrations and band-hopping crossover in the charge transport in naphthalene crystal, JCP 127, 044506 (2007)

A Piryatinski, S Tretiak, T D Sewell, S D McGrane, Vibrational spectroscopy of polyatomic materials: Semiempirical calculations of anharmonic couplings and infrared and Raman linewidths in naphthalene and PETN crystals, PRB 75, 214306 (2007)

S C Capelli, A Albinati, S A Mason, B T M Willis, Molecular Motion in Crystalline Naphthalene: Analysis of Multi-Temperature X-Ray and Neutron Diffraction Data, JPCA 110, 11695 (2006)

F Fabbiani, D Allan, S Parsons, C Pulham, Exploration of the high-pressure behaviour of polycyclic aromatic hydrocarbons: naphthalene, phenanthrene and pyrene, Acta Cryst B 62, 826 (2006) – cif

J Oddershede, S Larsen, Charge Density Study of Naphthalene Based on X-ray Diffraction Data at Four Different Temperatures and Theoretical Calculations, JPCA 108, 1057 (2004) – cif

K Hannewald, P A Bobbert, Ab initio theory of charge-carrier conduction in ultrapure organic crystals, APL 85, 1535 (2004)

S Tretiak, W M Zhang, V Chernyak, S Mukamel, Excitonic couplings and electronic coherence in bridged naphthalene dimers, PNAS 96, 13003 (1999)

C Panero, R Bini, V Schettino, Vibron dynamics in naphthalene crystal, JCP 100, 7938 (1994)

W Warta, N Karl, Hot holes in naphthalene: High, electric-field-dependent mobilities, PRB 32, 1172 (1985)

H Alt, J Kalus, X-ray powder diffraction investigation of naphthalene up to 0.5 GPa, Acta Cryst B 38, 2595 (1982) – cif