| Calculations of near-edge x-ray-absorption spectra of gas-phase and chemisorbed molecules by means of density-functional and transition-potential theory L Triguero, LGM Pettersson, H Ågren Physical Review B 58 (12), 8097, 1998 | 552 | 1998 |
| Separate state vs. transition state Kohn-Sham calculations of X-ray photoelectron binding energies and chemical shifts L Triguero, O Plashkevych, LGM Pettersson, H Ågren Journal of electron spectroscopy and related phenomena 104 (1-3), 195-207, 1999 | 232 | 1999 |
| The bonding of CO to metal surfaces A Föhlisch, M Nyberg, P Bennich, L Triguero, J Hasselström, O Karis, ... The Journal of Chemical Physics 112 (4), 1946-1958, 2000 | 205 | 2000 |
| Core-hole effects in x-ray-absorption spectra of fullerenes M Nyberg, Y Luo, L Triguero, LGM Pettersson, H Ågren Physical Review B 60 (11), 7956, 1999 | 143 | 1999 |
| Spin uncoupling in surface chemisorption of unsaturated hydrocarbons L Triguero, LGM Pettersson, B Minaev, H Ågren The Journal of chemical physics 108 (3), 1193-1205, 1998 | 103 | 1998 |
| Calculations of x-ray emission spectra of molecules and surface adsorbates by means of density functional theory L Triguero, LGM Pettersson, H Ågren The Journal of Physical Chemistry A 102 (52), 10599-10607, 1998 | 91 | 1998 |
| StoBe-DeMon, version 3.0 K Hermann, LGM Pettersson, ME Casida, C Daul, A Goursot, A Koester, ... STOBE software, 2002 | 82 | 2002 |
| Ground-state interpretation of x-ray emission spectroscopy on adsorbates: CO adsorbed on Cu (100) A Föhlisch, J Hasselström, P Bennich, N Wassdahl, O Karis, A Nilsson, ... Physical Review B 61 (23), 16229, 2000 | 81 | 2000 |
| Comparative molecular dynamics studies of wild-type and oxidized forms of full-length Alzheimer amyloid β-peptides Aβ (1− 40) and Aβ (1− 42) L Triguero, R Singh, R Prabhakar The Journal of Physical Chemistry B 112 (23), 7123-7131, 2008 | 80 | 2008 |
| Bonding of saturated hydrocarbons to metal surfaces H Öström, L Triguero, M Nyberg, H Ogasawara, LGM Pettersson, ... Physical review letters 91 (4), 046102, 2003 | 61 | 2003 |
| Direct experimental measurement of donation/back-donation in unsaturated hydrocarbon bonding to metals L Triguero, A Föhlisch, P Väterlein, J Hasselström, M Weinelt, ... Journal of the American Chemical Society 122 (49), 12310-12316, 2000 | 54 | 2000 |
| Benzene adsorbed on Cu (110): theoretical X-ray absorption, emission and shake calculations LGM Pettersson, H Ågren, Y Luo, L Triguero Surface science 408 (1-3), 1-20, 1998 | 54 | 1998 |
| Orbital rehybridization in n-octane adsorbed on Cu(110) H Öström, L Triguero, K Weiss, H Ogasawara, MG Garnier, D Nordlund, ... The Journal of chemical physics 118 (8), 3782-3789, 2003 | 49 | 2003 |
| Probing chemical bonding in adsorbates using X-ray emission spectroscopy A Nilsson, J Hasselström, A Föhlisch, O Karis, LGM Pettersson, M Nyberg, ... Journal of Electron Spectroscopy and Related Phenomena 110, 15-39, 2000 | 47 | 2000 |
| Resonant soft-x-ray emission spectroscopy of surface adsorbates: Theory, computations, and measurements of ethylene and benzene on Cu (110) L Triguero, Y Luo, LGM Pettersson, H Ågren, P Väterlein, M Weinelt, ... Physical Review B 59 (7), 5189, 1999 | 46 | 1999 |
| XPS and XAS investigation of condensed and adsorbed n-octane on a Cu (110) surface K Weiss, H Öström, L Triguero, H Ogasawara, MG Garnier, ... Journal of electron spectroscopy and related phenomena 128 (2-3), 179-191, 2003 | 43 | 2003 |
| Nonadiabatic effects in resonant inelastic X-ray scattering F Hennies, S Polyutov, I Minkov, A Pietzsch, M Nagasono, ... Physical review letters 95 (16), 163002, 2005 | 41 | 2005 |
| Calculations of hydrogen chemisorption energies on optimized copper clusters L Triguero, U Wahlgren, P Boussard, P Siegbahn Chemical physics letters 237 (5-6), 550-559, 1995 | 40 | 1995 |
| MO and DFT approaches to the calculation of X-ray absorption/emission spectra of nitrogen atom adsorbed on Cu (100) L Triguero, LGM Pettersson Surface science 398 (1-2), 70-83, 1998 | 39 | 1998 |
| Molecular dynamics study to investigate the effect of chemical substitutions of methionine 35 on the secondary structure of the amyloid β (Aβ (1− 42)) monomer in aqueous solution L Triguero, R Singh, R Prabhakar The Journal of Physical Chemistry B 112 (7), 2159-2167, 2008 | 37 | 2008 |
