TY - JOUR A1 - Chapuisat, Xavier A1 - Saint-Espés, Cécile A1 - Zuhrt, Christian A1 - Zülicke, Lutz T1 - A weak-mode representation of floppy molecules. IV. Spectroscopic states of model HCN and CNH Y1 - 1997 ER - TY - JOUR A1 - Kroßner, Thomas A1 - Zülicke, Lutz A1 - Staikova, Mima A1 - Peyerimhoff, Sigrid D. T1 - Ab-initio investigation of the electronic spectrum of the chloroformyl radical ClCO Y1 - 1995 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 - Kroßner, Thomas A1 - Peric, Miljenko A1 - Vetter, Reinhard A1 - Zülicke, Lutz T1 - Ab-initio investigation of the vibrational structure of absorption and emission spectra of FCO Y1 - 1994 ER - TY - JOUR A1 - Kroßner, Thomas A1 - Zülicke, Lutz A1 - Vetter, Reinhard A1 - Peyerimhoff, Sigrid D. A1 - Peric, Miljenko T1 - Ab-initio study of the potential energy surfaces of doublet valence and Rydberg states of FCO Y1 - 1994 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 - 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 - 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 - 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 -