Walter Thiel
www.kofo.mpg.de
0000-0001-6780-0350
517 papers found
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Semiempirical NDDO calculations with STO-3G and 4-31G basis sets
The MNDOC method, a correlated version of the MNDO model
A comparative theoretical study of photoionization cross sections and angular distributions
MNDOC study of reactive intermediates and transition states
MNDOC study of excited states
Multipole analysis of MNDO results
The C4H4CO potential surface. Reactions involving bicyclo[2.1.0]pentenone
C2Li6 structural isomers
Theory and Application of Photoelectron-Spectroscopy .79. Photoelectron-Spectra of 2,5-Dehydrotropylidene, 3,6-Dehydrooxepin, and Fulvenallene
Conformation of Sterically Hindered Aniline Cation Radicals and Benzyl Cations
MNDO study of tetra-tert-butyltetrahedrane and tetra-tert-butylcyclobutadiene and of their thermal interconversion
Geometry optimizations with explicit inclusion of electron correlation
Calculated photoelectron spectra of singlet and triplet methylene
The most stable CNDO/2 water dimer
Semiempirical calculations of molecular vibrational frequencies : the MNDO method
Photoelektronenspektren und MNDO-Rechnungen für [n]Paracyclophane
Theoretical-Study of Complexes of Cyclobutadiene With Carbon-Monoxide and Carbondioxide
Theory and Application of Photoelectron Spectroscope .75. Preparation and Investigation of Cyclopentadiennone by Variable Temperature Photoelectron-Spectroscopy (Vtpes)
MINDO/3 study of the addition of singlet oxygen (1.DELTA.gO2) to 1,3-butadiene
Ground states of molecules : 39. MNDO results for molecules containing hydrogen, carbon, nitrogen, and oxygen
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