Publications - Klüner
W.-L. Yim, T. Klüner
J. Comput. Chem., 29 (2008), 1306
"Atom-In-Molecule Analysis For Planewave DFT Calculations – A Numerical Approach on a Successively Interpolated Charge Density Grid"
W.-L. Yim, T. Klüner
J. Catal. 254 (2008), 349
"Promoting O2 Activation on Noble Metal Surfaces"
W.-L. Yim, T. Klüner
J. Chem. Theory Comput. 4 (2008), 1709
"Role of Electrostatic Interactions on Engineering Reaction Barriers: The Case of CO Dissociation on Supported Cobalt Particles"
I. Mehdaoui, T. Klüner
Phys. Chem. Chem. Phys. 10 (2008), 4559
"New mechanistic insight into electronically excited CO-NiO(100): A quantum dynamical analysis"
H.-Y. Wang, W.-L. Yim, T. Klüner, J.O. Metzger
Chem. Eur. J.,15 (2009), 10948
"ESI-MS Studies and Calculations on Alkali Metal Adduct Ions of Ruthenium Olefin Metathesis Catalysts and Their Catalytic Activity in Metathesis Reactions"
T. Jung, R. Beckhaus, T. Klüner, S. Höfener, W. Klopper
J. Chem. Theory Comput. 5 (2009), 2044
"The unexpected trimerization of pyrazine in the coordination sphere of low valent titanocene fragments"
M. Röefzaad, T. Klüner, I. Brand
Phys. Chem. Chem. Phys. 11 (2009), 10140
"Orientation of GM1 ganglioside in Langmuir-Blodgett monolayers: a PM IRRAS and computational study"
T. Klüner
in Modern Computational Science 09 –Lecture Notes from the International Summer School Oldenburg
R. Leidl, A. K. Hartmann (Eds.), BIS-Verlag der Carl von Ossietzky Universität Oldenburg, Oldenburg, 2009
"Numerical Aspects of Wave Packet Calculations: The Program Package DYN5D"
261-272