Citation: M. Filatov et W. Thiel, EXCHANGE-CORRELATION DENSITY-FUNCTIONAL BEYOND THE GRADIENT APPROXIMATION, Physical review. A, 57(1), 1998, pp. 189-199
Authors:
BRAIN PT
BUHL M
ROBERTSON HE
JACKSON AD
LICKISS PD
MACKERRACHER D
RANKIN DWH
SHAH D
THIEL W
Citation: Pt. Brain et al., STRUCTURES OF GA(HFAC)(3) AND IN(HFAC)(3) (HFAC EQUALS 1,1,1,5,5,5-HEXAFLUOROPENTANE-2,4-DIONATE) IN THE GAS-PHASE AS STUDIED BY ELECTRON-DIFFRACTION AND AB-INITIO CALCULATIONS, Journal of the Chemical Society. Dalton transactions, (4), 1998, pp. 545-551
Authors:
FLEISCHER H
BRAIN PT
RANKIN DWH
ROBERTSON HE
BUHL M
THIEL W
Citation: H. Fleischer et al., GAS-PHASE MOLECULAR-STRUCTURES OF BIS(CHLOROMETHYLSILYL)AMINE AND BIS(CHLOROMETHYLSILYL)METHYLAMINE BY ELECTRON-DIFFRACTION AND AB-INITIO CALCULATIONS - EXPERIMENTAL SUPPORT FOR N(N)-SIGMA-ASTERISK(SI-CL) HYPERCONJUGATION, Journal of the Chemical Society. Dalton transactions, (4), 1998, pp. 593-600
Citation: V. Jonas et W. 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), Organometallics, 17(3), 1998, pp. 353-360
Citation: M. Filatov et W. Thiel, TESTS OF A DENSITY-FUNCTIONAL WITH LAPLACIAN TERMS - ACTIVATION BARRIERS AND BOND-STRETCHING ENERGIES, Chemical physics letters, 295(5-6), 1998, pp. 467-474
Citation: Tz. Mordasini et al., MOLECULAR-STRUCTURE OF THE FULLERENE C-70 AT 825-DEGREES-C - QUANTUM-CHEMICAL MOLECULAR-DYNAMICS SIMULATIONS, Chemical physics letters, 288(2-4), 1998, pp. 183-187
Citation: W. Thiel, MASORETIC AND ALEXANDRIAN TEXT SPECIALIZA TIONS IN THE 'PROPHECIES OFJEREMIAH' - TEXTUAL HISTORICAL RANKING, CHARACTERISTICS, AND MOTIVES - GERMAN - STIPP,HJ, Biblische Zeitschrift, 42(1), 1998, pp. 121-122
Citation: S. Patchkovskii et W. Thiel, C-60 DIMERS - A ROUTE TO ENDOHEDRAL FULLERENE COMPOUNDS, Journal of the American Chemical Society, 120(3), 1998, pp. 556-563
Authors:
KOTTING C
SANDER W
BREIDUNG J
THIEL W
SENZLOBER M
BURGER H
Citation: C. Kotting et al., A CHARGE-TRANSFER COMPLEX OF XENON AND DIFLUOROVINYLIDENE, Journal of the American Chemical Society, 120(1), 1998, pp. 219-220
Citation: S. Patchkovskii et W. Thiel, ANALYTICAL FIRST DERIVATIVES OF THE ENERGY FOR SMALL CI EXPANSIONS, Theoretical chemistry accounts, 98(1), 1997, pp. 1-4
Authors:
MCGRADY GS
DOWNS AJ
BEDNALL NC
MCKEAN DC
THIEL W
JONAS V
FRENKING G
SCHERER W
Citation: Gs. Mcgrady et al., INFRARED-SPECTRUM AND STRUCTURE OF ME(2)TICL(2) AND QUANTUM-MECHANICAL CALCULATIONS OF GEOMETRIES AND FORCE-FIELDS FOR METICL(3) AND ME(2)TICL(2), The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 101(10), 1997, pp. 1951-1968
Citation: W. Thiel, HYPOPLASIA OF THE LEFT-HEART VENTRICLE - CASUISTIC CONTRIBUTION TO THE DEVELOPMENT OF THIS HEART MALFORMATION, DTW. Deutsche tierarztliche Wochenschrift, 104(4), 1997, pp. 127-131
Citation: J. Heyd et al., ROTATION AND INVERSION BARRIERS IN N-METHYLMETHANESULFONAMIDE FROM AB-INITIO CALCULATIONS, Journal of molecular structure. Theochem, 391(1-2), 1997, pp. 125-130
Authors:
BARLUENGA J
GONZALEZ JM
LLORENTE I
CAMPOS PJ
RODRIGUEZ MA
THIEL W
Citation: J. Barluenga et al., THEORETICAL EVIDENCE FOR STEREOSELECTIVE LITHIATIONS OF 2-ALKOXY-1,1-DIIODO-1-ALKENES - AN AB-INITIO STUDY, Journal of organometallic chemistry, 548(2), 1997, pp. 185-189
Citation: J. Breidung et W. Thiel, EQUILIBRIUM STRUCTURE AND SPECTROSCOPIC CONSTANTS OF DICHLOROETHYNE -AN AB-INITIO STUDY, Journal of molecular spectroscopy, 185(1), 1997, pp. 115-122
Authors:
BURGER H
WEINRATH P
DRESSLER S
HANSEN T
THIEL W
Citation: H. Burger et al., HIGH-RESOLUTION INFRARED STUDIES AND QUANTUM-CHEMICAL CALCULATIONS ONMNO3F, Journal of molecular spectroscopy, 183(1), 1997, pp. 139-150
Citation: S. Patchkovskii et W. Thiel, EQUILIBRIUM YIELD FOR HELIUM INCORPORATION INTO BUCKMINSTERFULLERENE - QUANTUM-CHEMICAL EVALUATION, The Journal of chemical physics, 106(5), 1997, pp. 1796-1799