Franck-Condon profiles in photodetachment-photoelectron spectra of HS₂⁻ and DS₂⁻ based on vibrational configuration interaction wavefunctions. Mol. Phys., (108)3-4:409–423, 2010. [PUMA: chemie CCSD(T)-F12,Franck-Condon,HS₂,Photodetachment-photoelectron from:alexanderdenzel rauhut theoretische stuttgart spectra,VSCF/VCI theochem] URL
Refined analysis of the X̃²A₂←X̃¹A₁ photoelectron spectrum of furan. J. Chem. Phys., (148)5:054306, February 2018. [PUMA: cluster spectra,potential functions eigenfunctions,organic calculations,eigenvalues theoretische stuttgart compounds,photoelectron surfaces,vibronic chemie energy states,wave from:alexanderdenzel rauhut and Franck-Condon factors,coupled theochem] URL
Erratum: Toward large scale vibrational configuration interaction calculations (Journal of Chemical Physics (2009) 131 (124129)). J. Chem. Phys., (131)22:229901, 2009. [PUMA: chemie imported from:alexanderdenzel rauhut theoretische stuttgart theochem] URL
Theoretical prediction of a base-catalyzed bicyclic Boulton-Katritzky rearrangement. J. Org. Chem., (66)16:5444–5448, August 2001. [PUMA: chemie imported from:alexanderdenzel rauhut theoretische stuttgart theochem] URL
A new efficient method for the calculation of interior eigenpairs and its application to vibrational structure problems. J. Chem. Phys., (146)12:124101, 2017. [PUMA: chemie imported from:alexanderdenzel rauhut theoretische stuttgart theochem] URL