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Distance and exposure dependent effective dielectric function.

, , and . J. Comput. Chem., 23 (11): 1090-1099 (2002)

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Prediction of Exchange Coupling Constant for Mn12 Molecular Magnet Using Dft+U., , , and . ICCS (2), volume 5545 of Lecture Notes in Computer Science, page 151-159. Springer, (2009)Distance and exposure dependent effective dielectric function., , and . J. Comput. Chem., 23 (11): 1090-1099 (2002)Predictions of Two Photon Absorption Profiles Using Time-Dependent Density Functional Theory Combined with SOS and CEO Formalisms., , , and . ICCS (2), volume 5545 of Lecture Notes in Computer Science, page 179-188. Springer, (2009)Theoretical Photochemistry of the Photochromic Molecules Based on Density Functional Theory Methods., and . ICCS (2), volume 5545 of Lecture Notes in Computer Science, page 169-178. Springer, (2009)Dopant-mediated oxygen vacancy tuning in ceria nanoparticles, , , , , , and . Nanotechnology, 20 (8): 085713 (2009)ACD/I-Lab 4.5: An Internet Service Review.. Journal of Chemical Information and Computer Sciences, 41 (4): 1093-1095 (2001)Time-Dependent Density Functional Theory Study of Structure-Property Relationships in Diarylethene Photochromic Compounds., and . ICCS (2), volume 5545 of Lecture Notes in Computer Science, page 211-220. Springer, (2009)Pairwise Spin-Contamination Correction Method and DFT Study of MnH and H2 Dissociation Curves., and . ICCS (2), volume 5545 of Lecture Notes in Computer Science, page 141-150. Springer, (2009)Towards Multiscale Simulations of Carbon Nanotube Growth Process: A Density Functional Theory Study of Transition Metal Hydrides., and . ICCS (1), volume 5544 of Lecture Notes in Computer Science, page 765-774. Springer, (2009)