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Results: 1-25/39
Authors:
Sohnel, T
Hermann, H
Schwerdtfeger, P
Citation: T. Sohnel et al., Towards the understanding of solid-state structures: From cubic to chainlike arrangements in group 11 halides, ANGEW CHEM, 40(23), 2001, pp. 4382
Authors:
Thyssen, J
Schwerdtfeger, P
Bender, M
Nazarewicz, W
Semmes, PB
Citation: J. Thyssen et al., Quadrupole and hexadecapole couplings for I-127 in (LiI)-I-127 - art. no. 022505, PHYS REV A, 6302(2), 2001, pp. 2505
Authors:
Hargittai, M
Schultz, G
Schwerdtfeger, P
Seth, M
Citation: M. Hargittai et al., The structure of gaseous carbon tetraiodide from electron diffraction and all carbon iodides, CIn, (n=1-4), and their dimers, C2I2n (n=1-3) from high-level computation. Any other carbon-iodide species in the vapor?, STRUCT CHEM, 12(5), 2001, pp. 377-391
Authors:
Pernpointner, M
Schwerdtfeger, P
Citation: M. Pernpointner et P. Schwerdtfeger, Spin-orbit effects in electric field gradients of alkali metal atoms, J PHYS B, 34(4), 2001, pp. 659-670
Authors:
Sohnel, T
Brown, R
Kloo, L
Schwerdtfeger, P
Citation: T. Sohnel et al., The stability of gold iodides in the gas phase and the solid state, CHEM-EUR J, 7(14), 2001, pp. 3167-3173
Authors:
Hoffmann, RW
Muller, M
Menzel, K
Gschwind, R
Schwerdtfeger, P
Malkina, OL
Malkin, VG
Citation: Rw. Hoffmann et al., Reaction of iodoform and isopropyl grignard reagent revisited, ORGANOMETAL, 20(25), 2001, pp. 5310-5313
Authors:
Rissler, J
Bassler, H
Gebhard, F
Schwerdtfeger, P
Citation: J. Rissler et al., Excited states of ladder-type poly-p-phenylene oligomers - art. no. 045122, PHYS REV B, 6404(4), 2001, pp. 5122
Authors:
Martinez-Pinedo, G
Schwerdtfeger, P
Caurier, E
Langanke, K
Nazarewicz, W
Sohnel, T
Citation: G. Martinez-pinedo et al., Nuclear quadrupole moment of Fe-57 from microscopic nuclear and atomic calculations - art. no. 062701, PHYS REV L, 8706(6), 2001, pp. 2701
Authors:
Schwerdtfeger, P
Wesendrup, R
Moyano, GE
Sadlej, AJ
Greif, J
Hensel, F
Citation: P. Schwerdtfeger et al., The potential energy curve and dipole polarizability tensor of mercury dimer, J CHEM PHYS, 115(16), 2001, pp. 7401-7412
Authors:
Schwerdtfeger, P
Sohnel, T
Pernpointner, M
Laerdahl, JK
Wagner, FE
Citation: P. Schwerdtfeger et al., Comparison of ab initio and density functional calculations of electric field gradients: The Fe-57 nuclear quadrupole moment from Mossbauer data, J CHEM PHYS, 115(13), 2001, pp. 5913-5924
Authors:
Wang, XB
Wang, LS
Brown, R
Schwerdtfeger, P
Schroder, D
Schwarz, H
Citation: Xb. Wang et al., The electronic structure of CuCl2 and CuBr2 from anion photoelectron spectroscopy and ab initio calculations, J CHEM PHYS, 114(17), 2001, pp. 7388-7395
Authors:
Wesendrup, R
Schwerdtfeger, P
Citation: R. Wesendrup et P. Schwerdtfeger, Structure and electron affinity of platinum fluorides, INORG CHEM, 40(14), 2001, pp. 3351-3354
Authors:
Dolg, M
Stoll, H
Seth, M
Schwerdtfeger, P
Citation: M. Dolg et al., On the performance of energy-consistent spin-orbit pseudopotentials: (111)H revisited, CHEM P LETT, 345(5-6), 2001, pp. 490-496
Authors:
Laerdahl, JK
Wesendrup, R
Schwerdtfeger, P
Citation: Jk. Laerdahl et al., D- or L-alanine: That is the question, CHEMPHYSCHE, 1(1), 2000, pp. 60
Authors:
Wesendrup, R
Schwerdtfeger, P
Citation: R. Wesendrup et P. Schwerdtfeger, Extremely strong s(2)-s(2) closed-shell interactions, ANGEW CHEM, 39(5), 2000, pp. 907
Authors:
Schroder, D
Brown, R
Schwerdtfeger, P
Schwarz, H
Citation: D. Schroder et al., Kinetics of radiative/termolecular associations in the low pressure regime: reactions of bare Au+ with benzene, INT J MASS, 203(1-3), 2000, pp. 155-163
Authors:
Wesendrup, R
Kloo, L
Schwerdtfeger, P
Citation: R. Wesendrup et al., Ab initio spectroscopic properties for HgTl+, INT J MASS, 201(1-3), 2000, pp. 17-21
Authors:
Lim, IS
Laerdahl, JK
Schwerdtfeger, P
Citation: Is. Lim et al., The static electric dipole polarizability of Rb+, J PHYS B, 33(3), 2000, pp. L91-L96
Authors:
Nielson, AJ
Schwerdtfeger, P
Waters, JM
Citation: Aj. Nielson et al., Trichloro monophenoxide complexes of titanium(IV), J CHEM S DA, (4), 2000, pp. 529-537
Authors:
Schwerdtfeger, P
Schmidbaur, H
Citation: P. Schwerdtfeger et H. Schmidbaur, The distorted structure of [Au(GeCl3)(3)](2-), Z ANORG A C, 626(2), 2000, pp. 374-380
Authors:
Lahamer, AS
Mahurin, SM
Compton, RN
House, D
Laerdahl, JK
Lein, M
Schwerdtfeger, P
Citation: As. Lahamer et al., Search for a parity-violating energy difference between enantiomers of a chiral iron complex, PHYS REV L, 85(21), 2000, pp. 4470-4473
Authors:
Thyssen, J
Laerdahl, JK
Schwerdtfeger, P
Citation: J. Thyssen et al., Fully relativistic coupled cluster treatment for parity-violating energy differences in molecules, PHYS REV L, 85(15), 2000, pp. 3105-3108
Authors:
Laerdahl, JK
Schwerdtfeger, P
Quiney, HM
Citation: Jk. Laerdahl et al., Theoretical analysis of parity-violating energy differences between the enantiomers of chiral molecules, PHYS REV L, 84(17), 2000, pp. 3811-3814
Authors:
Schwerdtfeger, P
Brown, JR
Laerdahl, JK
Stoll, H
Citation: P. Schwerdtfeger et al., The accuracy of the pseudopotential approximation. III. A comparison between pseudopotential and all-electron methods for Au and AuH, J CHEM PHYS, 113(17), 2000, pp. 7110-7118
Authors:
Wesendrup, R
Hunt, T
Schwerdtfeger, P
Citation: R. Wesendrup et al., Relativistic coupled cluster calculations for neutral and singly charged Au-3 clusters, J CHEM PHYS, 112(21), 2000, pp. 9356-9362