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Results: 1-25/26
Authors:
Pelmenschikov, A
Leszczynski, J
Pettersson, LGM
Citation: A. Pelmenschikov et al., Mechanism of dissolution of neutral silica surfaces: Including effect of self-healing, J PHYS CH A, 105(41), 2001, pp. 9528-9532
Authors:
Pettersson, LGM
Nilsson, A
Myneni, S
Luo, Y
Nyberg, M
Cavalleri, M
Ojamae, L
Naslund, LA
Ogasawara, H
Odelius, M
Pelmenschikov, A
Citation: Lgm. Pettersson et al., Electronic structure effects from hydrogen bonding in the liquid phase andin chemisorption: an integrated theory and experimental effort, J SYNCHROTR, 8, 2001, pp. 136-140
Authors:
Kolczewski, C
Puttner, R
Plashkevych, O
Agren, H
Staemmler, V
Martins, M
Snell, G
Schlachter, AS
Sant'Anna, M
Kaindl, G
Pettersson, LGM
Citation: C. Kolczewski et al., Detailed study of pyridine at the C1s and N1s ionization thresholds: The influence of the vibrational fine structure, J CHEM PHYS, 115(14), 2001, pp. 6426-6437
Authors:
Hasselstrom, J
Karis, O
Nyberg, M
Pettersson, LGM
Weinelt, M
Wassdahl, N
Nilsson, A
Citation: J. Hasselstrom et al., The bonding and electronic structure changes upon adsorption of important functional groups: Glycine on copper, J PHYS CH B, 104(48), 2000, pp. 11480-11483
Authors:
Pelmenschikov, A
Morosi, G
Gamba, A
Coluccia, S
Martra, G
Pettersson, LGM
Citation: A. Pelmenschikov et al., Can the three-coordinated Mg site of MgO accommodate more than one CO molecule?, J PHYS CH B, 104(48), 2000, pp. 11497-11500
Authors:
Pelmenschikov, A
Strandh, H
Pettersson, LGM
Leszczynski, J
Citation: A. Pelmenschikov et al., Lattice resistance to hydrolysis of Si-O-Si bonds of silicate minerals: Abinitio calculations of a single water attack onto the (001) and (111) beta-cristobalite surfaces, J PHYS CH B, 104(24), 2000, pp. 5779-5783
Authors:
Nilsson, A
Hasselstrom, J
Fohlisch, A
Karis, O
Pettersson, LGM
Nyberg, M
Triguero, L
Citation: A. Nilsson et al., Probing chemical bonding in adsorbates using X-ray emission spectroscopy, J ELEC SPEC, 110(1-3), 2000, pp. 15-39
Authors:
Plashkevych, O
Agren, H
Karlsson, L
Pettersson, LGM
Citation: O. Plashkevych et al., Calculations of valence electron binding energies using Kohn-Sham theory and transition potentials, J ELEC SPEC, 106(1), 2000, pp. 51-63
Authors:
Fohlisch, A
Hasselstrom, J
Bennich, P
Wassdahl, N
Karis, O
Nilsson, A
Triguero, L
Nyberg, M
Pettersson, LGM
Citation: A. Fohlisch et al., Ground-state interpretation of x-ray emission spectroscopy on adsorbates: CO adsorbed on Cu(100), PHYS REV B, 61(23), 2000, pp. 16229-16240
Authors:
Fohlisch, A
Nyberg, M
Hasselstrom, J
Karis, O
Pettersson, LGM
Nilsson, A
Citation: A. Fohlisch et al., How carbon monoxide adsorbs in different sites, PHYS REV L, 85(15), 2000, pp. 3309-3312
Authors:
Fohlisch, A
Nyberg, M
Bennich, P
Triguero, L
Hasselstrom, J
Karis, O
Pettersson, LGM
Nilsson, A
Citation: A. Fohlisch et al., The bonding of CO to metal surfaces, J CHEM PHYS, 112(4), 2000, pp. 1946-1958
Authors:
Karis, O
Hasselstrom, J
Wassdahl, N
Weinelt, M
Nilsson, A
Nyberg, M
Pettersson, LGM
Stohr, J
Samant, MG
Citation: O. Karis et al., The bonding of simple carboxylic acids on Cu(110), J CHEM PHYS, 112(18), 2000, pp. 8146-8155
Authors:
Nyberg, M
Hasselstrom, J
Karis, O
Wassdahl, N
Weinelt, M
Nilsson, A
Pettersson, LGM
Citation: M. Nyberg et al., The electronic structure and surface chemistry of glycine adsorbed on Cu(110), J CHEM PHYS, 112(12), 2000, pp. 5420-5427
Authors:
Triguero, L
Fohlisch, A
Vaterlein, P
Hasselstrom, J
Weinelt, M
Pettersson, LGM
Luo, Y
Agren, H
Nilsson, A
Citation: L. Triguero et al., Direct experimental measurement of donation/back-donation in unsaturated hydrocarbon bonding to metals, J AM CHEM S, 122(49), 2000, pp. 12310-12316
Authors:
de Carolis, S
Pascual, JL
Pettersson, LGM
Baudin, M
Wojcik, M
Hermansson, K
Palmqvist, AEC
Muhammed, M
Citation: S. De Carolis et al., Structure and electronic properties of Ca-doped CeO2 and implications on catalytic activity: An experimental and theoretical study, J PHYS CH B, 103(36), 1999, pp. 7627-7636
Authors:
Triguero, L
de Carolis, S
Baudin, M
Wojcik, M
Hermansson, K
Nygren, MA
Pettersson, LGM
Citation: L. Triguero et al., Metal oxides: O2- chemistry and dynamical effects on oxide reactivity, FARADAY DIS, (114), 1999, pp. 351-362
Authors:
Triguero, L
Plashkevych, O
Pettersson, LGM
Agren, H
Citation: L. Triguero et al., Separate state vs. transition state Kohn-Sham calculations of X-ray photoelectron binding energies and chemical shifts, J ELEC SPEC, 104(1-3), 1999, pp. 195-207
Authors:
Yang, L
Agren, H
Pettersson, LGM
Guo, JH
Sathe, C
Fohlisch, A
Nilsson, A
Nordgren, J
Citation: L. Yang et al., Core electron spectroscopy of chromium hexacarbonyl. A comparative theoretical and experimental study, PHYS SCR, 59(2), 1999, pp. 138-146
Authors:
Nyberg, M
Luo, Y
Triguero, L
Pettersson, LGM
Agren, H
Citation: M. Nyberg et al., Core-hole effects in x-ray-absorption spectra of fullerenes, PHYS REV B, 60(11), 1999, pp. 7956-7960
Authors:
Triguero, L
Luo, Y
Pettersson, LGM
Agren, H
Vaterlein, P
Weinelt, M
Fohlisch, A
Hasselstrom, J
Karis, O
Nilsson, A
Citation: L. Triguero et al., Resonant soft-x-ray emission spectroscopy of surface adsorbates: Theory, computations, and measurements of ethylene and benzene on Cu(110), PHYS REV B, 59(7), 1999, pp. 5189-5200
Authors:
Staufer, M
Birkenheuer, U
Belling, T
Nortemann, F
Rosch, N
Stichler, M
Keller, C
Wurth, W
Menzel, D
Pettersson, LGM
Fohlisch, A
Nilsson, A
Citation: M. Staufer et al., Interpretation of x-ray emission spectra: NO adsorbed on Ru(001), J CHEM PHYS, 111(10), 1999, pp. 4704-4713
Authors:
Hasselstrom, J
Fohlisch, A
Karis, O
Wassdahl, N
Weinelt, M
Nilsson, A
Nyberg, M
Pettersson, LGM
Stohr, J
Citation: J. Hasselstrom et al., Ammonia adsorbed on Cu(110): An angle resolved x- ray spectroscopic and abinitio study, J CHEM PHYS, 110(10), 1999, pp. 4880-4890
Authors:
Pettersson, LGM
Hatsui, T
Kosugi, N
Citation: Lgm. Pettersson et al., Ni 2p-3d photoabsorption and strong charge transfer satellites in divalentNi complexes with molecular ligands. Evaluation of pi-back donation based on the density functional theory approach, CHEM P LETT, 311(3-4), 1999, pp. 299-305
Authors:
Mochizuki, Y
Agren, H
Pettersson, LGM
Carravetta, V
Citation: Y. Mochizuki et al., A theoretical investigation of sulphur K-shell X-ray absorption of cysteine, CHEM P LETT, 309(3-4), 1999, pp. 241-248
Authors:
Illas, F
Pacchioni, G
Pelmenschikov, A
Pettersson, LGM
Dovesi, R
Pisani, C
Neyman, KM
Rosch, N
Citation: F. Illas et al., First-principles determination of the bonding mechanism and adsorption energy for CO/MgO(001) - Comment, CHEM P LETT, 306(3-4), 1999, pp. 202-204