| 1 |
Full-Dimensional Excited-State Intramolecular Proton Transfer Dynamics of Salicylic Acid
Raeker T, Hartke B
Journal of Physical Chemistry A, 121(32), 5967, 2017 |
| 2 |
Simulating a Molecular Machine in Action
Raeker T, Carstensen NO, Hartke B
Journal of Physical Chemistry A, 116(46), 11241, 2012 |
| 3 |
Photochemical Ring-Opening of Cyclohexadiene: Quantum Wavepacket Dynamics on a Global Ab Initio Potential Energy Surface
Schonborn JB, Sielk J, Hartke B
Journal of Physical Chemistry A, 114(12), 4036, 2010 |
| 4 |
Larger water clusters with edges and corners on their way to ice: Structural trends elucidated with an improved parallel evolutionary algorithm
Bandow B, Hartke B
Journal of Physical Chemistry A, 110(17), 5809, 2006 |
| 5 |
Fingerprints of delocalized transition states in quantum dynamics
von Horsten HF, Rauhut G, Hartke B
Journal of Physical Chemistry A, 110(48), 13014, 2006 |
| 6 |
Experimental and theoretical investigation of microsolvation of Na+-ions in the gas phase by high resolution mass spectrometry and global cluster geometry optimization
Hartke B, Charvat A, Reich M, Abel B
Journal of Chemical Physics, 116(9), 3588, 2002 |
| 7 |
Calculation of the Raman spectrum of photodissociating H2S around 195 nm
Skouteris D, Hartke B, Werner HJ
Journal of Physical Chemistry A, 105(11), 2458, 2001 |
| 8 |
Photodissociation dynamics of H2S on new coupled ab initio potential energy surfaces
Simah D, Hartke B, Werner HJ
Journal of Chemical Physics, 111(10), 4523, 1999 |
| 9 |
Quantum mechanical and quasiclassical simulations of molecular beam experiments for the F+H-2 -> HF+H reaction on two ab initio potential energy surfaces
Castillo JF, Hartke B, Werner HJ, Aoiz FJ, Banares L, Martinez-Haya B
Journal of Chemical Physics, 109(17), 7224, 1998 |
| 10 |
Global Geometry Optimization of (Ar)(N) and B(Ar)(N) Clusters Using a Modified Genetic Algorithm
Gregurick SK, Alexander MH, Hartke B
Journal of Chemical Physics, 104(7), 2684, 1996 |
