Walter Thiel
www.kofo.mpg.de
0000-0001-6780-0350
517 papers found
Refreshing results…
Theoretical study of buckminsterfullerene derivatives C60Xn (X=H, F; n=2, 36, 60)
Quantum-chemical study of C78 fullerene isomers
Ab initio calculation of harmonic force fields and vibrational spectra for trichloromethyltitanium and related compounds
The vibrational frequencies of difluoroethyne
Fullerene C50 isomers: : Temperature-induced interchange of relative stabilities
Extension of the MNDO formalism tod orbitals: Integral approximations and preliminary numerical results
MNDO study of large carbon clusters
Theoretical infrared spectra of large carbon clusters
Ab initio calculation of harmonic force fields and vibrational spectra of the fluoroarsines AsHnF3-n (n = 0-3) and the fluoroarsoranes AsHnF5-n (n = 0-5)
The vibrational spectra of the monohalogenated cyclopropanes : ab initio calculations and an experimental study of fluorocyclopropane
The VIBRATIONAL-SPECTRUM AND ROTATIONAL-CONSTANTS OF DIFLUOROETHYNE FC=CF - MATRIX AND HIGH-RESOLUTION INFRARED STUDIES AND ABINITIO CALCULATIONS
Ab initio calculation of harmonic force fields and vibrational spectra for the arsine oxides and sulfides R3AsY (R = H, F; Y = O, S) and related compounds
The anharmonic force fields of PH3, PHF2, PF3, PH5, and H3PO
High-resolution rotation–vibration spectroscopy of difluorophosphorane: : a combined theoretical and experimental study
Nonlinear transformation of anharmonic normal coordinate force constants
Anharmonic force fields from analytic second derivatives : method and application to methyl bromide
Analytical second derivatives for effective core potentials
Ab initio calculation of harmonic force fields and vibrational spectra for the fluorophosphines PHnF3-n (n = O-3)
Ab initio calculation of harmonic force fields and vibrational spectra for the phosphine oxides and sulfides R3PY (R = H, F, CH3; Y = O, S)
Comparison of semiempirical MO methods for open-shell systems
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