Walter Thiel - Dissemin

Papers authored by Walter Thiel

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1999 H. Beckers, J. Breidung, H. Burger, R. Koppe, C. Kotting, W. Sander, H. Schnockel, W. Thiel

Difluorosilanethione F2Si=S by flash vacuum thermolysis of (F3Si)(2)S and by reaction of SiS with F-2 - Matrix studies and ab initio calculations

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Volker Jonas, Walter Thiel

Theoretical study on linear dicyanide and dicarbonyl complexes of the metals Au, Hg, and Tl. On the possible existence of a [Tl(CO)2]3+ cation

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Michael Senzlober, Hans Bürger, Reint Eujen, Achim Gelessus, Walter Thiel

Squaric acid difluoride

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1998 M. Rotger, V. Boudon, B. Lavorel, S. Sommer, H. Bürger, J. Breidung, W. Thiel

, M. Bétrencourt, J.-C. Deroche

Ab InitioCalculations and High-Resolution Spectroscopy of the Bending Pentad of SiH2D2in the 10–16 μm Region

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Michael Filatov, Walter Thiel

Exchange-correlation density functional beyond the gradient approximation

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Michael Filatov, Walter Thiel

Tests of a density functional with Laplacian terms : activation barriers and bond-stretching energies

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C. Boudon, Jp Gisselbrecht, M. Gross, F. Cardullo, P. Seiler, L. Isaacs, Jf Nierengarten, Rf Haldimann, F. Diederich, T. Mordasini-Denti, W. Thiel

Redox properties of functionalized fullerenes

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Volker Jonas, Walter Thiel

Density functional study of the vibrational spectra of octahedral transition metal hexacarbonyls : neutral molecules (M = Cr, Mo, W) and isoelectronic ions (M = V, Nb, Ta; Mn, Re; Fe, Ru, Os; Co, Rh, Ir; Pt; Au).

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Jürgen Breidung, Walter Thiel

Anharmonic force field and spectroscopic constants of silene : an ab initio study

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Holger Fleischer, Paul T. Brain, David W. H. Rankin, Heather E. Robertson, Michael Bühl, Walter Thiel

Gas-phase molecular structures of bis(chloromethylsilyl)amine and bis(chloromethylsilyl)methylamine by electron diffraction and ab initio calculations : experimental support for n(N)-σ*(Si-Cl) hyperconjugation

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Carsten Kötting, Wolfram Sander, Jürgen Breidung, Walter Thiel

, Michael Senzlober, Hans Buerger, Hans Bürger

A charge-transfer complex of xenon and difluorovinylidene

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Paul T. Brain, Michael Bühl, Heather E. Robertson, Andrew D. Jackson, Paul D. Lickiss

, Donald MacKerracher, David W. H. Rankin, Dipti Shah, Walter Thiel

Structures of Ga(hfac)3 and In(hfac)3 (hfac = 1,1,1,5,5,5-hexafluoropentane-2,4-dionate) in the gas phase as studied by electron diffraction and ab initio calculations †

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Tiziana Zeffirina Mordasini Denti, Walter Thiel

Combined quantum mechanical and molecular mechanical approaches

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W. Thiel

Recent developments in semiempirical hybrid approaches

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Tiziana Zeffirina Mordasini Denti, Christof F. W. Hanser, Walter Thiel

Molecular structure of the fullerene C70 at 825°C

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1997 S. Patchkovskii, W. Thiel

Analytical first derivatives of the energy for small CI expansions

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Michael Bühl, Serguei Patchkovskii, Walter Thiel

Interaction energies and NMR chemical shifts of noble gases in C60

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Sigmar Dressler, Walter Thiel

Anharmonic force fields from density functional theory

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Stephane Bailleux, Marcel Bogey, Jean Demaison, Hans Bürger, Michael Senzlober, Jürgen Breidung, Walter Thiel

, Radek Fajgar, Josef Pola

The equilibrium structure of silene H2C=SiH2 from millimeter wave spectra and from ab initio calculations

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Michael Bühl, Walter Thiel

A Density Functional Study of the Rotational Barrier of Tricarbonyl(η4-norbornadiene)iron. Effect of the Torsional Angle on the Carbonyl Stretching Spectra

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Papers authored by Walter Thiel