Items where Author is "Rothlisberger, Ursula"
Number of items: 6. 2007Lin, I. Chun and Coutinho-Neto, Mauricio D. and Felsenheimer, Camille and von Lilienfeld, O. Anatole and Tavernelli, Ivano and Rothlisberger, Ursula. (2007) Library of dispersion-corrected atom-centered potentials for generalized gradient approximation functionals: Elements H, C, N, O, He, Ne, Ar, and Kr. Physical review B: Condensed matter and materials physics, 75 (20). p. 205131. Lin, I. Chun and von Lilienfeld, O. Anatole and Coutinho-Neto, Mauricio D. and Tavernelli, Ivano and Rothlisberger, Ursula. (2007) Predicting noncovalent interactions between aromatic biomolecules with London-dispersion-corrected DFT. Journal of Physical Chemistry B, 111 (51). pp. 14346-14354. Tapavicza, Enrico and Lin, I. Chun and von Lilienfeld, O. Anatole and Tavernelli, Ivano and Coutinho-Neto, Mauricio D. and Rothlisberger, Ursula. (2007) Weakly bonded complexes of aliphatic and aromatic carbon compounds described with dispersion corrected density functional theory. Journal of Chemical Theory and Computation, 3 (5). pp. 1673-1679. 2005von Lilienfeld, O. Anatole and Tavernelli, Ivano and Rothlisberger, Ursula and Sebastiani, Daniel. (2005) Variational optimization of effective atom centered potentials for molecular properties. Journal of Chemical Physics, 122 (1). p. 14113. von Lilienfeld, O. Anatole and Lins, Roberto D. and Rothlisberger, Ursula. (2005) Variational particle number approach for rational compound design. Physical Review Letters, 95 (15). p. 153002. 2004von Lilienfeld, O. Anatole and Tavernelli, Ivano and Rothlisberger, Ursula and Sebastiani, Daniel. (2004) Optimization of effective atom centered potentials for london dispersion forces in density functional theory. Physical review letters, 93 (15). p. 153004. |
