| 1 |
Role of Tunneling in the Enzyme Glutamate Mutase
Rommel JB, Liu Y, Werner HJ, Kastner J
Journal of Physical Chemistry B, 116(46), 13682, 2012 |
| 2 |
Accurate Calculations of Intermolecular Interaction Energies Using Explicitly Correlated Coupled Cluster Wave Functions and a Dispersion-Weighted MP2 Method
Marchetti O, Werner HJ
Journal of Physical Chemistry A, 113(43), 11580, 2009 |
| 3 |
High-accuracy extrapolated ab initio thermochemistry of vinyl chloride (vol 111, pg 13623, 2007)
Harding ME, Gauss J, Pfluger K, Werner HJ
Journal of Physical Chemistry A, 112(22), 5024, 2008 |
| 4 |
High-accuracy extrapolated ab initio thermochemistry of vinyl chloride
Harding ME, Gauss J, Pfluger K, Werner HJ
Journal of Physical Chemistry A, 111(51), 13623, 2007 |
| 5 |
Impact of local and density fitting approximations on harmonic vibrational frequencies
Hrenar T, Rauhut G, Werner HJ
Journal of Physical Chemistry A, 110(5), 2060, 2006 |
| 6 |
Comparative calculations for the A-frame molecules [S(MPH3)(2)] (M = Cu, Ag, Au) at levels up to CCSD(T)
Riedel S, Pyykko P, Mata RA, Werner HJ
Chemical Physics Letters, 405(1-3), 148, 2005 |
| 7 |
Dynamically weighted multiconfiguration self-consistent field: Multistate calculations for F+H2O -> HF+OH reaction paths
Deskevich MP, Nesbitt DJ, Werner HJ
Journal of Chemical Physics, 120(16), 7281, 2004 |
| 8 |
Analytical energy gradients for local second-order Moller-Plesset perturbation theory using density fitting approximations
Schutz M, Werner HJ, Lindh R, Manby FR
Journal of Chemical Physics, 121(2), 737, 2004 |
| 9 |
Local treatment of electron excitations in the EOM-CCSD method
Korona T, Werner HJ
Journal of Chemical Physics, 118(7), 3006, 2003 |
| 10 |
Fast linear scaling second-order Moller-Plesset perturbation theory (MP2) using local and density fitting approximations
Werner HJ, Manby FR, Knowles PJ
Journal of Chemical Physics, 118(18), 8149, 2003 |
