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The Journal of Chemical Physics|April 28, 2007
Frequency-dependent nonlinear optical properties with explicitly correlated coupled-cluster response theory using the CCSD(R12) modelChristian Neiss, Christof HättigJournal of Chemical Information and Computer Sciences|September 28, 2004
Molecular dynamics simulation of the LOV2 domain from Adiantum capillus-venerisChristian Neiss, Peter SaalfrankPhotochemistry and Photobiology|July 15, 2003
Ab initio quantum chemical investigation of the first steps of the photocycle of phototropin: a model studyChristian Neiss, Peter SaalfrankChemphyschem : a European Journal of Chemical Physics and Physical Chemistry|June 26, 2014
The nature of one-dimensional carbon: polyynic versus cumulenicChristian Neiss, Egor Trushin, Andreas GörlingThe Journal of Chemical Physics|February 1, 2023
Geometries and vibrational frequencies with Kohn-Sham methods using σ-functionals for the correlation energyChristian Neiss, Steffen Fauser, Andreas GörlingThe Journal of Chemical Physics|September 1, 2006
Extensions of r12 corrections to CC2-R12 for excited statesChristian Neiss, Christof Hättig, Wim KlopperJournal of Molecular Modeling|October 29, 2011
Molecular mechanics modeling of azobenzene-based photoswitchesPatrick Duchstein, Christian Neiss, Andreas Görling, et al.The Journal of Chemical Physics|December 3, 2008
Comparative study of the structures of copper, silver, and gold icosamers: Influence of metal type and charge stateAnne Lechtken, Christian Neiss, Jason Stairs, et al.The Journal of Chemical Physics|October 9, 2021
Chemical accuracy with σ-functionals for the Kohn-Sham correlation energy optimized for different input orbitals and eigenvaluesSteffen Fauser, Egor Trushin, Christian Neiss, et al.Physical Review Letters|April 3, 2012
Competition for graphene: graphynes with direction-dependent Dirac conesDaniel Malko, Christian Neiss, Francesc Viñes, et al.Pageof 3