Density functional study for the oligomers of poly(para-phenylene): band structures and dielectric tensors.

Puschnig, P. & Ambrosch-Draxl, C., 1999, In: Physical review : B, Condensed matter and materials physics. 60, p. 7891-7898

Research output: Contribution to journal › Article › Research › peer-review

Curvature-induced excess surface energy of fullerenes: Density functional theory and Monte Carlo simulations

Holec, D., Hartmann, M. A., Fischer, F. D., Rammerstorfer, F. G., Mayrhofer, P. H. & Paris, O., 2 Jun 2010, In: Physical review : B, Condensed matter and materials physics. 81, 23, p. 2354031-23540310

Research output: Contribution to journal › Article › Research › peer-review

Crystal and electronic structures of pentacene thin films from grazing-incidence x-ray diffraction and first-principles calculations

Nabok, D., Puschnig, P., Ambrosch-Draxl, C., Werzer, O., Resel, R. & Smiligies, D., 2007, In: Physical review : B, Condensed matter and materials physics. 76, p. 235322 -235322

Research output: Contribution to journal › Article › Research › peer-review

Confinement induced structural changes of water studied by Raman scattering

Erko, M., Findenegg, G. H., Cade, N., Michette, A. G. & Paris, O., 2011, In: Physical review : B, Condensed matter and materials physics. 84, p. 104205-1-104205-8

Research output: Contribution to journal › Article › Research › peer-review

Cohesive and surface energies of pi-conjugated organic molecular crystals: A first-principles study

Nabok, D., Puschnig, P. & Ambrosch-Draxl, C., 2008, In: Physical review : B, Condensed matter and materials physics. 77, p. 245316-1-245316-5

Research output: Contribution to journal › Article › Research › peer-review

Charge kinks as Raman scatterers in quater-filled ladders

Sherman, E. Y., Draxl, C., Lemmens, P., Güntherodt, G. & Loosdrecht, P. H. M., 2001, In: Physical review : B, Condensed matter and materials physics. 63, p. 224305-224305

Research output: Contribution to journal › Article › Research › peer-review

Charge distribution and electric field gradients in YBa2Cu307-x

Schwarz, K., Draxl, C. & Blaha, P., 1990, In: Physical review : B, Condensed matter and materials physics. 42, p. 2051-2061

Research output: Contribution to journal › Article › Research › peer-review

Carrier transfer effect on transport in p-i-n structures with Ge quantum dots

Lysenko, V. S., Gomeniuk, Y. V., Strelchuk, V. V., Nikolenko, A. S., Kondratenko, S. V., Kozyrev, Y. N., Rubezhanska, M. Y. & Teichert, C., 2011, In: Physical review : B, Condensed matter and materials physics. 84, p. 115425-1-15425-9

Research output: Contribution to journal › Article › Research › peer-review

Bond length deviation in CuZr metallic glasses

Peng, C. X., Şopu, D., Song, K. K., Zhang, Z.-T., Wang, L. & Eckert, J., 27 Nov 2017, In: Physical review : B, Condensed matter and materials physics. 96.2017, 17, 8 p., 174112.

Research output: Contribution to journal › Article › Research › peer-review

Bonding and physical properties of the scheelite type materials AgReO4 and NaReO4

Spitaler, J., Ambrosch-Draxl, C., Nachbauer, E., Belaj, F., Gomm, H. & Netzer, F., 2003, In: Physical review : B, Condensed matter and materials physics. 67, p. 115127-115127

Research output: Contribution to journal › Article › Research › peer-review