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Results: 1-22 |
Results: 22
The aromaticity and antiaromaticity of dehydroannulenes
Authors: Juselus, J Sundholm, D
Citation: J. Juselus et D. Sundholm, The aromaticity and antiaromaticity of dehydroannulenes, PHYS CHEM P, 3(12), 2001, pp. 2433-2437
Magnetic-shielding calculations on Al-4(2-) and Analogues. A new family ofaromatic molecules?
Authors: Juselius, J Straka, M Sundholm, D
Citation: J. Juselius et al., Magnetic-shielding calculations on Al-4(2-) and Analogues. A new family ofaromatic molecules?, J PHYS CH A, 105(43), 2001, pp. 9939-9944
Nuclear quadrupole moments of bromine and iodine from combined atomic and molecular data - art. no. 052507
Authors: Bieron, J Pyykko, P Sundholm, D Kello, V Sadlej, AJ
Citation: J. Bieron et al., Nuclear quadrupole moments of bromine and iodine from combined atomic and molecular data - art. no. 052507, PHYS REV A, 6405(5), 2001, pp. 2507
Tetraberyllium-eta(4)-oxo-hexa(arylcarboxylates)
Authors: Berger, RJR Schmidt, MA Juselius, J Sundholm, D Sirsch, P Schmidbaur, H
Citation: Rjr. Berger et al., Tetraberyllium-eta(4)-oxo-hexa(arylcarboxylates), Z NATURFO B, 56(10), 2001, pp. 979-989
Full configuration interaction calculations of electron-hole correlation effects in strain-induced quantum dots
Authors: Brasken, M Lindberg, M Sundholm, D Olsen, J
Citation: M. Brasken et al., Full configuration interaction calculations of electron-hole correlation effects in strain-induced quantum dots, PHYS ST S-B, 224(3), 2001, pp. 775-779
Spatial carrier-carrier correlations in strain-induced quantum dots - art.no. 035312
Authors: Brasken, M Lindberg, M Sundholm, D Olsen, J
Citation: M. Brasken et al., Spatial carrier-carrier correlations in strain-induced quantum dots - art.no. 035312, PHYS REV B, 6403(3), 2001, pp. 5312
The quest for beryllium peroxides
Authors: Berger, RJF Hartmann, M Pyykko, P Sundholm, D Schmidbaur, H
Citation: Rjf. Berger et al., The quest for beryllium peroxides, INORG CHEM, 40(10), 2001, pp. 2270-2274
The aromatic pathways of porphins, chlorins and bacteriochlorins
Authors: Juselius, J Sundholm, D
Citation: J. Juselius et D. Sundholm, The aromatic pathways of porphins, chlorins and bacteriochlorins, PHYS CHEM P, 2(10), 2000, pp. 2145-2151
Interpretation of the electronic absorption spectrum of free-base porphin using time-dependent density-functional theory
Authors: Sundholm, D
Citation: D. Sundholm, Interpretation of the electronic absorption spectrum of free-base porphin using time-dependent density-functional theory, PHYS CHEM P, 2(10), 2000, pp. 2275-2281
A modified variation-perturbation approach to zero-point vibrational motion
Authors: Astrand, PO Ruud, K Sundholm, D
Citation: Po. Astrand et al., A modified variation-perturbation approach to zero-point vibrational motion, THEOR CH AC, 103(5), 2000, pp. 365-373
Full configuration interaction calculations of electron-hole correlation effects in strain-induced quantum dots
Authors: Brasken, M Lindberg, M Sundholm, D Olsen, J
Citation: M. Brasken et al., Full configuration interaction calculations of electron-hole correlation effects in strain-induced quantum dots, PHYS REV B, 61(11), 2000, pp. 7652-7655
Carrier-carrier correlations in strain-induced quantum dots
Authors: Brasken, M Lindberg, M Sundholm, D Olsen, J
Citation: M. Brasken et al., Carrier-carrier correlations in strain-induced quantum dots, PHYS ST S-B, 221(1), 2000, pp. 37-41
The aromatic character of magnesium porphyrins
Authors: Juselius, J Sundholm, D
Citation: J. Juselius et D. Sundholm, The aromatic character of magnesium porphyrins, J ORG CHEM, 65(17), 2000, pp. 5233-5237
Comparison of the electronic excitation spectra of chlorophyll a and pheophytin a calculated at density functional theory level
Authors: Sundholm, D
Citation: D. Sundholm, Comparison of the electronic excitation spectra of chlorophyll a and pheophytin a calculated at density functional theory level, CHEM P LETT, 317(6), 2000, pp. 545-552
Density functional theory study of the electronic absorption spectrum of Mg-porphyrin and Mg-etioporphyrin-I
Authors: Sundholm, D
Citation: D. Sundholm, Density functional theory study of the electronic absorption spectrum of Mg-porphyrin and Mg-etioporphyrin-I, CHEM P LETT, 317(3-5), 2000, pp. 392-399
Luminescent characterization of solution oligomerization process mediated gold-gold interactions. DFT calculations on [Au2Ag2R4L2](n) moieties
Authors: Fernandez, EJ Gimeno, MC Laguna, A Lopez-de-Luzuriaga, JM Monge, M Pyykko, P Sundholm, D
Citation: Ej. Fernandez et al., Luminescent characterization of solution oligomerization process mediated gold-gold interactions. DFT calculations on [Au2Ag2R4L2](n) moieties, J AM CHEM S, 122(30), 2000, pp. 7287-7293
Ab initio determination of the induced ring current in aromatic molecules
Authors: Juselius, J Sundholm, D
Citation: J. Juselius et D. Sundholm, Ab initio determination of the induced ring current in aromatic molecules, PCCP PHYS C, 1(15), 1999, pp. 3429-3435
Finite-element multiconfiguration Hartree-Fock calculations of the atomic quadrupole moment of Ar+(P-2(3/2))
Authors: Sundholm, D
Citation: D. Sundholm, Finite-element multiconfiguration Hartree-Fock calculations of the atomic quadrupole moment of Ar+(P-2(3/2)), PHYS REV A, 59(5), 1999, pp. 3355-3358
Ab initio calculations of the ground-state electron affinities of gallium and indium
Authors: Sundholm, D Tokman, M Pyykkot, P Eliav, E Kaldor, U
Citation: D. Sundholm et al., Ab initio calculations of the ground-state electron affinities of gallium and indium, J PHYS B, 32(24), 1999, pp. 5853-5859
An ab initio study of structure and energetics of free-base bonellin-dimethylester isomers and transition states
Authors: Sundholm, D Konschin, H Haser, M
Citation: D. Sundholm et al., An ab initio study of structure and energetics of free-base bonellin-dimethylester isomers and transition states, CHEM-EUR J, 5(1), 1999, pp. 267-273
Electric quadrupole moment of the Al-27 nucleus: Converging results from the AlF and AlCl molecules and the Al atom
Authors: Kello, V Sadlej, AJ Pyykko, P Sundholm, D Tokman, M
Citation: V. Kello et al., Electric quadrupole moment of the Al-27 nucleus: Converging results from the AlF and AlCl molecules and the Al atom, CHEM P LETT, 304(5-6), 1999, pp. 414-422
Density functional theory calculations of the visible spectrum of chlorophyll a
Authors: Sundholm, D
Citation: D. Sundholm, Density functional theory calculations of the visible spectrum of chlorophyll a, CHEM P LETT, 302(5-6), 1999, pp. 480-484
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