| (1) Ab initio (CASPT2) Excited State Calculations, Including
the
Circular Dichroism, of Helicaly Twisted Cyanine Dyes Marko Schreiber, Rainer Vahrenhorst, Volker Buß, and Markus P. Fülscher, Chirality 2001, 13, 571-576. (2) Non-empirical calculation of polymethine excited states Volker Buß, Marko Schreiber and Markus P. Fülscher, Angew. Chemie Int. Ed. 2001, 3189-3190. (3) The Electronic Spectra of Symmetric Cyanine Dyes. A CASPT2 Study Marko Schreiber, Volker Buß and Markus P. Fülscher, Physical Chemistry - Chemical Physics 2001, 3, 3906-3912. (4) CASPT2 calculation of the excited states of symmetric polyenyl cations Marko Schreiber and Volker Buß, Physical Chemistry - Chemical Physics 2002, 4, 3305-3310. (5) Origin of the Bathochromic Shift in the Early Photointermediates of the Rhodopsin Visual Cycle: A CASSCF/CASPT2 Study Marko Schreiber and Volker Buß, Int. J. Quantum Chem. 2003, 95, 882-889. supporting information (205kb). (6) Exploring the Opsin Shift with Ab Initio Methods: Geometry and Counterion Effects on the Electronic Spectrum of Retinal M. Schreiber, M. Sugihara and V. Buß, J. Chem. Phys. 2003, 119, 12045-12048. supporting information (65kb). (7) Quantum Mechanical Studies on the Crystallographic Model of
Bathorhodopsin (8) An ab Initio Study of the Excited States, Isomerization Energy
Profiles and Conical (9) Structure and Bonding of Ag(I)-DNA Base Complexes and
Ag(I)-Adenine-Cytosine Mispairs (10) A CASPT2 study of the excited states of adenine tautomers with
silver ions.
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