Contents - Inhalt - Sommaire
382 | PDF | Table of Contents
Editorial
384 | PDF | Editorial
Programm DFT2005
386 | PDF | News & Events
Author Index DFT2005
484 | PDF | Miscellaneous
Quantum Mechanical/Molecular Mechanical (QM/MM) Car-Parrinello Simulations in Excited States
M.-E. Moret, E. Tapavicza, L. Guidoni, U. Röhrig, M. Sulpizi, I. Tavernelli, U. Rothlisberger*
493 | Online Article | Scientific Articles (Open Access)
Ground and Excited State Density Functional Calculations with the Gaussian and Augmented-Plane-Wave Method
M. Iannuzzi, T. Chassaing, T. Wallman, J. Hutter*
499 | Online Article | Scientific Articles (Open Access)
Parity Violation in Chiral Molecules
M. Quack*, J. Stohner
530 | Online Article | Scientific Articles (Open Access)
‘Measuring’ Electron Delocalization in π-Conjugated Systems
M. Bruschi, M.G. Giuffreda, H.P. Lüthi*
539 | Online Article | Scientific Articles (Open Access)
Computational Chemistry at Novartis
R. Lewis*, P. Ertl, E. Jacoby, M. Tintelnot-Blomley, P. Gedeck, R.M. Wolf, M.C. Peitsch
545 | Online Article | Scientific Articles (Open Access)
Computational Molecular Science for the Nutritional Industry
M.G. Grigorov
550 | Online Article | Scientific Articles (Open Access)
Var. Informations
557 | PDF | News & Events
CHIMIA-Report, 2005/07
559 | PDF | Chimia Report