Walter Thiel
www.kofo.mpg.de
0000-0001-6780-0350
518 papers found
Refreshing results…
The equilibrium structure of silene H2C=SiH2 from millimeter wave spectra and from ab initio calculations
A Density Functional Study of the Rotational Barrier of Tricarbonyl(η4-norbornadiene)iron. Effect of the Torsional Angle on the Carbonyl Stretching Spectra
Bis- through Tetrakis-Adducts of C60 by Reversible Tether-Directed Remote Functionalization and systematic investigation of the changes in fullerene properties as a function of degree, pattern, and nature of functionalization
Radical Impurity Mechanisms for Helium Incorporation into Buckminsterfullerene
Infrared Spectrum and Structure of Me2TiCl2and Quantum Mechanical Calculations of Geometries and Force Fields for MeTiCl3and Me2TiCl2
High resolution infrared studies and quantum-chemical calculations on MnO3F
Theoretical evidence for stereoselective lithiations of 2-alkoxy-1,1-diiodo-1-alkenes : an ab initio study
Equilibrium structure and spectroscopic constants of dichloroethyne : an ab initio study
A new gradient-corrected exchange-correlation density functional
Equilibrium structure of PH2Br
Equilibrium yield for helium incorporation into buckminsterfullerene : quantum-chemical evaluation
Computational methods for large molecules
Rotation and inversion barriers in N-methylmethanesulfonamide from ab initio calculations
Difluorovinylidene, F2C=C
Silaethene H2CSiH2: Millimeter Wave Spectrum and Ab Initio Calculations
Equilibrium Structure and Spectroscopic Constants of Difluoroethyne: An ab Initio Study
Theoretical study of the vibrational spectra of the transition-metal carbonyl hydrides HM(CO)5 (M=Mn, Re), H2M(CO)4 (M=Fe, Ru, Os), and HM(CO)4 (M=Co, Rh, Ir)
Theoretical studies on giant fullerenes and on endohedral fullerene complexes
Electronic structures, geometries, and energetics of highly charged cations of the C60 fullerene
Extension of the MNDO formalism to d orbitals: Integral approximations and preliminary numerical results (vol 81, pg 391, 1992)
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