TY  - JOUR
A1  - Zülicke, Lutz
A1  - Zuhrt, Christian
A1  - Chapuisat, Xavier
A1  - Saint-Espés, Cécile
T1  - Internal dynamics of simple floppy molecules
Y1  - 1994
ER  - 
TY  - JOUR
A1  - Zülicke, Lutz
A1  - Ragnetti, Francesca
A1  - Neumann, Rainer
A1  - Zuhrt, Christian
T1  - Ionized Van-der-Waals systems : structure and interactions
JF  - Technical Report / Institute of Physical and Theoretical Chemistry, Potsdam
Y1  - 1996
VL  - 1996, 01
PB  - Univ.
CY  - Potsdam
ER  - 
TY  - JOUR
A1  - Zülicke, Lutz
A1  - Ragnetti, Francesca
A1  - Neumann, Rainer
T1  - Ionized Van-der-Waals systems : structure and interactions
Y1  - 1997
ER  - 
TY  - JOUR
A1  - Zuhrt, Christian
A1  - Neumann, Rainer
A1  - Zülicke, Lutz
T1  - Investigation of vibrational states of the ArHCl+ cation in the electronic ground state
Y1  - 1999
ER  - 
TY  - JOUR
A1  - Vetter, Reinhard
A1  - Zülicke, Lutz
A1  - Koch, Anette
A1  - Dishoeck, Ewine F. van
A1  - Peyerimhoff, Sigrid D.
T1  - Photodissociation of NH2 : two-dimensional potential energy surfaces for the dissociation into NH and H
Y1  - 1996
ER  - 
TY  - JOUR
A1  - Vetter, Reinhard
A1  - Ritschel, Thomas
A1  - Zülicke, Lutz
A1  - Peterson, Kirk A.
T1  - Theoretical Study of the Low-Lying Electronically Excited States of OBrO
N2  - Motivated by the possible importance of OBrO in atmospheric photochemistry, multireference configuration interaction calculations of the low-lying excited states were carried out to obtain information about the electronic vertical spectrum up to excitation energies of about 6 eV from the ground state, including the transition dipole moments, and about possible photodissociation pathways, based on one-dimensional cuts through the potential energy surfaces for dissociation into BrO + O and Br + O2, respectively. In addition, for probing the angle dependence the bending potentials were also calculated.
Y1  - 2003
ER  - 
TY  - BOOK
A1  - Vetter, Reinhard
A1  - Nguyen, Huu Tong
A1  - Zülicke, Lutz
T1  - Complete 3D potential energy surfaces for the two lowest electronic states of the system (N2H)+
T3  - Technical Report / Institute of Physical and Theoretical Chemistry, Potsdam
Y1  - 1996
VL  - 1996, 02
PB  - Univ.
CY  - Potsdam
ER  - 
TY  - JOUR
A1  - Staikova, Mima
A1  - Peyerimhoff, Sigrid D.
A1  - Zülicke, Lutz
T1  - Ab-initio investigation of the hyperfine structure in the 12+(12A) and the 12(12A,22A) system of the FCO radical
Y1  - 1995
ER  - 
TY  - JOUR
A1  - Schwarz, W. H. Eugen
A1  - Andrae, Dirk
A1  - Arnold, S. R.
A1  - Heidberg, Joachim
A1  - Hellmann jr., H.
A1  - Hinze, J.
A1  - Karachalios, A.
A1  - Kovner, M. A.
A1  - Schmidt, P. C.
A1  - Zülicke, Lutz
T1  - Hans G. Hellmann (1903 - 1938) : ein deutscher Pionier der Quantenchemie in Moskau
Y1  - 1999
ER  - 
TY  - JOUR
A1  - Schwarz, W. H. Eugen
A1  - Andrae, Dirk
A1  - Arnold, S. R.
A1  - Heidberg, Joachim
A1  - Hellmann jr., H.
A1  - Hinze, J.
A1  - Karachalios, A.
A1  - Kovner, M. A.
A1  - Schmidt, P. C.
A1  - Zülicke, Lutz
T1  - Hans G. Hellmann (1903 - 1938) : ein Pionier der Quantenchemie
Y1  - 1999
ER  - 
TY  - JOUR
A1  - Ritschel, Thomas
A1  - Zülicke, Lutz
A1  - Kuntz, Philip J.
T1  - Cationic Van-der-Waals complexes : theoretical study of Ar2H+ structure and stability
N2  - The electronic and geometric structure, stability and molecular properties of the cationic van-der-Waals complex Ar2H+ in its ground electronic state are studied by means of two ab-initio quantum-chemical approaches: conventional configuration interaction (multi-reference and coupled cluster methods) and a diatomics-in-molecules model with ab-initio input data.
Y1  - 2004
ER  - 
TY  - BOOK
A1  - Ritschel, Thomas
A1  - Mahapatra, Susanta
A1  - Zülicke, Lutz
T1  - Classical trajectory calculations for inelastic scattering of protons by N2 Molecules
T3  - Technical Report / Institute of Physical and Theoretical Chemistry, Potsdam
Y1  - 1997
VL  - 1997, 01
PB  - Univ.
CY  - Potsdam
ER  - 
TY  - JOUR
A1  - Ritschel, Thomas
A1  - Mahapatra, Susanta
A1  - Zülicke, Lutz
T1  - Quasiclassical dynamics of proton scattering by N2 on an improved ab initio potential energy surface
N2  - An improved analytical representation of the ground electronic potential energy surface (PES) of the (H+, N2) system is generated using the ab initio data reported in our earlier work. The new analytical PES function describes adequately the global behavior and in particular the angular dependence of the interaction as well as the long-range part so that it is amenable to scattering studies. We investigate the elastic and inelastic H+-N2 scattering dynamics on this PES by the quasiclassical trajectory method for center-of-mass collision energies in the range 29-144 eV. The trajectory results thus obtained are compared with the available experimental findings and with recent quantum-mechanical (vibrational close-coupling rotational infinite-order sudden) results. Despite some differences, the experimental data are well reproduced by the present calculations.
Y1  - 2001
ER  - 
TY  - JOUR
A1  - Ragnetti, Francesca
A1  - Zuhrt, Christian
A1  - Zülicke, Lutz
T1  - Intramolecular dynamics of the cationic argon trimer
Y1  - 1996
ER  - 
TY  - BOOK
A1  - Ragnetti, Francesca
A1  - Zuhrt, Christian
A1  - Zülicke, Lutz
T1  - Intramolecular dynamics of the cationic argon trimer
T3  - Technical Report / Institute of Physical and Theoretical Chemistry, Potsdam
Y1  - 1995
VL  - 1995, 03
PB  - Univ.
CY  - Potsdam
ER  - 
TY  - BOOK
A1  - Ragnetti, Francesca
A1  - Zuhrt, Christian
A1  - Zülicke, Lutz
T1  - Intramolecular dynamics of the cationic argon trimer
Y1  - 1995
PB  - Univ.
CY  - Potsdam
ER  - 
TY  - BOOK
A1  - Nguyen, Huu Tong
A1  - Zülicke, Lutz
T1  - Potential energy surfaces for the interaction of H+ and H- atomic ions with the N2 molecule
T3  - Technical Report / Institute of Physical and Theoretical Chemistry, Potsdam
Y1  - 1995
VL  - 1995, 02
PB  - Univ.
CY  - Potsdam
ER  - 
TY  - JOUR
A1  - Mahapatra, Susanta
A1  - Zuhrt, Christian
A1  - Vetter, Reinhard
A1  - Nguyen, Huu Tong
A1  - Ritschel, Thomas
A1  - Zülicke, Lutz
T1  - Spectroscopy and intramalocular dynamics of collinear N2H+ on a new potential energy surface
JF  - Technical Report / Institute of Physical and Theoretical Chemistry, Potsdam
Y1  - 1996
VL  - 1996, 03
PB  - Univ.
CY  - Potsdam
ER  - 
TY  - JOUR
A1  - Mahapatra, Susanta
A1  - Vetter, Reinhard
A1  - Zuhrt, Christian
A1  - Nguyen, Huu Tong
A1  - Ritschel, Thomas
A1  - Zülicke, Lutz
T1  - Bound states and time-dependent dynamics of the N2H+ molecular ion in its ground electronic state. I. 2D treatment
Y1  - 1997
ER  - 
TY  - JOUR
A1  - Mahapatra, Susanta
A1  - Vetter, Reinhard
A1  - Zuhrt, Christian
A1  - Nguyen, Huu Tong
A1  - Ritschel, Thomas
A1  - Zülicke, Lutz
T1  - Ground state potential energy surface, 3D time-dependent intramolecular dynamics and vibrational states of the N2H+ molecular ion
Y1  - 1998
ER  -