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Results: 1-10 |
Results: 10
Ab initio g-tensor calculations of hydrogen bond effects on a nitroxide spin label
Authors: Engstrom, M Owenius, R Vahtras, O
Citation: M. Engstrom et al., Ab initio g-tensor calculations of hydrogen bond effects on a nitroxide spin label, CHEM P LETT, 338(4-6), 2001, pp. 407-413
Hydrogen bonding to tyrosyl radical analyzed by ab initio g-tensor calculations
Authors: Engstrom, M Himo, F Graslund, A Minaev, B Vahtras, O Agren, H
Citation: M. Engstrom et al., Hydrogen bonding to tyrosyl radical analyzed by ab initio g-tensor calculations, J PHYS CH A, 104(21), 2000, pp. 5149-5153
Ab initio calculations of molecular resonant photoemission spectra
Authors: Carravetta, V Agren, H Vahtras, O Jensen, HJA
Citation: V. Carravetta et al., Ab initio calculations of molecular resonant photoemission spectra, J CHEM PHYS, 113(18), 2000, pp. 7790-7798
MCSCF and DFT calculations of EPR parameters of sulfur centered radicals
Authors: Engstrom, M Vahtras, O Agren, H
Citation: M. Engstrom et al., MCSCF and DFT calculations of EPR parameters of sulfur centered radicals, CHEM P LETT, 328(4-6), 2000, pp. 483-491
Near-edge X-ray absorption and dichroism in amino acids
Authors: Yang, L Plashkevych, O Vahtras, O Carravetta, V Agren, H
Citation: L. Yang et al., Near-edge X-ray absorption and dichroism in amino acids, J SYNCHROTR, 6, 1999, pp. 708-710
Hartree-Fock linear response calculations of g-tensors of substituted benzene radicals
Authors: Engstrom, M Vahtras, O Agren, H
Citation: M. Engstrom et al., Hartree-Fock linear response calculations of g-tensors of substituted benzene radicals, CHEM PHYS, 243(3), 1999, pp. 263-271
Correlated response calculations of the spin-orbit interaction contribution to nuclear spin-spin couplings
Authors: Vaara, J Ruud, K Vahtras, O
Citation: J. Vaara et al., Correlated response calculations of the spin-orbit interaction contribution to nuclear spin-spin couplings, J COMPUT CH, 20(12), 1999, pp. 1314-1327
Photoionization cross sections of charge-induced gap states: A theoreticalstudy of doped diphenylpolyenes
Authors: Yang, L Vahtras, O Agren, H
Citation: L. Yang et al., Photoionization cross sections of charge-induced gap states: A theoreticalstudy of doped diphenylpolyenes, PHYS REV B, 59(8), 1999, pp. 5457-5462
Orientation of 10,11-dihydrocinchonidine on Pt(111)
Authors: Evans, T Woodhead, AP Gutierrez-Sosa, A Thornton, G Hall, TJ Davis, AA Young, NA Wells, PB Oldman, RJ Plashkevych, O Vahtras, O Agren, H Carravetta, V
Citation: T. Evans et al., Orientation of 10,11-dihydrocinchonidine on Pt(111), SURF SCI, 436(1-3), 1999, pp. L691-L696
Second- and third-order spin-orbit contributions to nuclear shielding tensors
Authors: Vaara, J Ruud, K Vahtras, O
Citation: J. Vaara et al., Second- and third-order spin-orbit contributions to nuclear shielding tensors, J CHEM PHYS, 111(7), 1999, pp. 2900-2909
Risultati: 1-10 |