Walter Thiel
www.kofo.mpg.de
0000-0001-6780-0350
517 papers found
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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
Ab initio study on the stability of diaminocarbenes
Helium and lithium NMR chemical shifts of endohedral fullerene compounds : an ab initio study
The vibrational spectra of krypton and xenon difluoride: High-resolution infrared studies and ab initio calculations
Recent theoretical fullerene research
Synthesis and Evaluation of New Glycosidase Inhibitors
D-Gluconhydroximo-1,5-lactam and RelatedN-Arylcarbamates Theoretical Calculations, Structure, Synthesis, and Inhibitory Effect on ?-Glucosidases
Beyond the MNDO model : methodical considerations and numerical results
MNDO parameters for helium: Optimization, tests, and application to endohedral fullerene?helium complexes
Fullerene C-78 Isomers - Temperature-Dependence of Their Calculated Relative Stabilities
Ab initio study of the stability and vibrational spectra of plumbane, methylplumbane, and homologous compounds
Quantum-chemical study of C84 fulleren isomers
Extension ofMNDO tod orbitals: Parameters and results for the halogens
Large discrepancies between the theoretically predicted and experimentally observed vibrational frequencies of ONCl+2 and ONClF+
The harmonic force fields of dimethyl zinc, cadmium and mercury: A joint theoretical and experimental study
Singlet excited-state intramolecular proton tranfer in 2-(2t'-hydroxyphenyl) benzoxazole: spectroscopy at low temperatures, femtosecond transient absorption, and MNDO calculations
A systematicab initio study of the group V trihalidesMX3 and pentahalidesMX5 (M = P?Bi,X = F?I)
Ab initio calculation of anharmonic force fields for the methyl, silyl, germyl, and stannyl halides
State-selectivity of excited-state intramolecular proton transfer in a ‘‘double’’ benzoxazole : jet spectroscopy and semiempirical calculations
High-Resolution Ftir Study of the Nu-8 Band and Abinitio Calculation of the Harmonic and Anharmonic-Force Field of Difluoromethanimine, Cf2nh
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