Publikationen von Walter Thiel
Alle Typen
Zeitschriftenartikel (627)
1996
Zeitschriftenartikel
Thiel, W. A semiempirical approach to nonlinear optical properties of large molecules at the MNDO and level. Chemical Physics 1996, 206, 73–85.
;
Zeitschriftenartikel
Thiel, W.; Erratum: Extension of the MNDO formalism to d orbitals: Integral approximations and preliminary numerical results. Theoretica Chimica Acta 1996, 93, 315.
Zeitschriftenartikel
Breidung, J.; Thiel, W. Ab initio calculations and high resolution infrared investigation on XeF4. The Journal of Chemical Physics 1996, 104, 4945–4953.
; ;
Zeitschriftenartikel
Thiel, W. Analytical first derivatives of the energy in the MNDO half-electron open-shell treatment. Theoretica Chimica Acta 1996, 93, 87–99.
;
Zeitschriftenartikel
Thiel, W. Semiempirical treatment of electrostatic potentials and partial charges in combined quantum mechanical and molecular mechanical approaches. Journal of Computational Chemistry 1996, 17, 87–108.
;
Zeitschriftenartikel
Thiel, W.; Extension of MNDO to d Orbitals: Parameters and Results for the Second-Row Elements and for the Zinc Group. The Journal of Physical Chemistry 1996, 100, 616–626.
Zeitschriftenartikel
Thiel, W. Electronic structures, geometries, and energetics of highly charged cations of the C60 fullerene. Chemical Physics Letters 1996, 248, 116–120.
; ; 1995
Zeitschriftenartikel
Thiel, W.; Multipoles and Symmetry. Journal of Chemical Education 1995, 72, 505–508.
;
Zeitschriftenartikel
Thiel, W. Theoretical study of the vibrational spectra of the transition metal carbonyls M(CO)6 [M=Cr, Mo, W], M(CO)5 [M=Fe, Ru, Os], and M(CO)4 [M=Ni, Pd, Pt]. The Journal of Chemical Physics 1995, 102, 8474–8484.
;
Zeitschriftenartikel
Thiel, W. Experimental and theoretical infrared intensities of the fundamental bands of zinc, cadmium and mercury dimethyls; electro-optical parameters, atomic polar tensors and effective atomic charges. Spectrochimica Acta, Part A: Molecular and Biomolecular Spectroscopy 1995, 51, 685–697.
; ; ;
Zeitschriftenartikel
Breidung, J.; ; ; Thiel, W. The Vibrational Spectrum of Fluorochloroethyne FCCC1: Ab Initio Calculations and High Resolution Infrared Studies. Berichte der Bunsen-Gesellschaft 1995, 99, 282–288.
Zeitschriftenartikel
Thiel, W. Theoretical Approaches to Anharmonic Resonances. Berichte der Bunsen-Gesellschaft 1995, 99, 514–519.
;
Zeitschriftenartikel
Breidung, J.; Thiel, W. The Anharmonic Force Fields of Arsine, Stibine, and Bismutine. Journal of Molecular Spectroscopy 1995, 169, 166–180.
1994
Zeitschriftenartikel
Thiel, W. Ab initio calculations on monohalogenophosphanes PH2X (X=F,Cl,Br,I), and experimental detection and characterization of PH2F and PH2Cl by high resolution infrared spectroscopy. The Journal of Chemical Physics 1994, 101, 5585–5595.
; ; ; ;