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Results: 1-25/47
Authors:
FOCSA C
BENCHEIKH M
PETTERSSON LGM
Citation: C. Focsa et al., THE ELECTRONIC-STRUCTURE OF TICL - LIGAND-FIELD VERSUS DENSITY-FUNCTIONAL CALCULATIONS, Journal of physics. B, Atomic molecular and optical physics, 31(13), 1998, pp. 2857-2869
Authors:
TRIGUERO L
PETTERSSON LGM
AGREN H
Citation: L. Triguero et al., CALCULATIONS OF NEAR-EDGE X-RAY-ABSORPTION SPECTRA OF GAS-PHASE AND CHEMISORBED MOLECULES BY MEANS OF DENSITY-FUNCTIONAL AND TRANSITION-POTENTIAL THEORY, Physical review. B, Condensed matter, 58(12), 1998, pp. 8097-8110
Authors:
BENNICH P
WIELL T
KARIS O
WEINELT M
WASSDAHL N
NILSSON A
NYBERG M
PETTERSSON LGM
STOHR J
SAMANT M
Citation: P. Bennich et al., NATURE OF THE SURFACE CHEMICAL-BOND IN N-2 ON NI(100) STUDIED BY X-RAY-EMISSION SPECTROSCOPY AND AB-INITIO CALCULATIONS, Physical review. B, Condensed matter, 57(15), 1998, pp. 9274-9284
Authors:
PETTERSSON LGM
AGREN H
LUO Y
TRIGUERO L
Citation: Lgm. Pettersson et al., BENZENE ADSORBED ON CU(110) - THEORETICAL X-RAY-ABSORPTION, EMISSION AND SHAKE CALCULATIONS, Surface science, 408(1-3), 1998, pp. 1-20
Authors:
HASSELSTROM J
KARIS O
WEINELT M
WASSDAHL N
NILSSON A
NYBERG M
PETTERSSON LGM
SAMANT MG
STOHR J
Citation: J. Hasselstrom et al., THE ADSORPTION STRUCTURE OF GLYCINE ADSORBED ON CU(110) - COMPARISON WITH FORMATE AND ACETATE CU(110)/, Surface science, 407(1-3), 1998, pp. 221-236
Authors:
SCHAFFNER MH
PATTHEY F
SCHNEIDER WD
PETTERSSON LGM
Citation: Mh. Schaffner et al., ELECTRON-ENERGY-LOSS SPECTROSCOPY (EELS) OF THERMALLY EVAPORATED CU DEPOSITED ON MGO(100) MO(100)/, Surface science, 404(1-3), 1998, pp. 450-453
Authors:
TRIGUERO L
PETTERSSON LGM
Citation: L. Triguero et Lgm. Pettersson, MO AND DFT APPROACHES TO THE CALCULATION OF X-RAY ABSORPTION EMISSIONSPECTRA OF NITROGEN ATOM ADSORBED ON CU(100)/, Surface science, 398(1-2), 1998, pp. 70-83
Authors:
TRIGUERO L
PETTERSSON LGM
MINAEV B
AGREN H
Citation: L. Triguero et al., SPIN UNCOUPLING IN SURFACE CHEMISORPTION OF UNSATURATED-HYDROCARBONS, The Journal of chemical physics, 108(3), 1998, pp. 1193-1205
Authors:
AGREN H
CARRAVETTA V
VAHTRAS O
PETTERSSON LGM
Citation: H. Agren et al., DIRECT SCF DIRECT STATIC-EXCHANGE CALCULATIONS OF ELECTRONIC-SPECTRA, Theoretical chemistry accounts, 97(1-4), 1997, pp. 14-40
Authors:
YANG L
PLACHKEVYTCH O
AGREN H
PETTERSSON LGM
Citation: L. Yang et al., CALCULATIONS OF NEXAFS SPECTRA OF SUBSTITUTED BENZENES, Journal de physique. IV, 7(C2), 1997, pp. 227-228
Authors:
AGREN H
PETTERSSON LGM
CARRAVETTA V
LUO Y
YANG L
VAHTRAS O
Citation: H. Agren et al., SELF-CONSISTENT-FIELD CALCULATIONS OF X-RAY-EMISSION SPECTRA OF SURFACE ADSORBATES AND POLYMERS, Journal de physique. IV, 7(C2), 1997, pp. 515-516
Authors:
CARRAVETTA V
YANG L
VAHTRAS O
AGREN H
PETTERSSON LGM
Citation: V. Carravetta et al., AB-INITIO STATIC EXCHANGE CALCULATIONS OF SHAKE-UP SPECTRA OF MOLECULES AND SURFACE ADSORBATES, Journal de physique. IV, 7(C2), 1997, pp. 519-520
Authors:
YANG L
AGREN H
PETTERSSON LGM
CARRAVETTA V
Citation: L. Yang et al., ON THE INITIAL AND FINAL-STATE RULES FOR PREDICTING NEAR-EDGE X-RAY-ABSORPTION INTENSITIES, Journal of electron spectroscopy and related phenomena, 83(2-3), 1997, pp. 209-216
Authors:
PLASHKEVYCH O
YANG L
VAHTRAS O
AGREN H
PETTERSSON LGM
Citation: O. Plashkevych et al., SUBSTITUTED BENZENES AS BUILDING-BLOCKS IN NEAR-EDGE X-RAY-ABSORPTIONSPECTRA, Chemical physics, 222(2-3), 1997, pp. 125-137
Authors:
PASCUAL JL
PETTERSSON LGM
AGREN H
Citation: Jl. Pascual et al., THEORETICAL-STUDY OF ULTRAVIOLET PHOTOELECTRON-SPECTRA OF CARBONYL SYSTEMS - CO, CR(CO)(6), AND CO CU(100)/, Physical review. B, Condensed matter, 56(12), 1997, pp. 7716-7725
Authors:
PETTERSSON LGM
AGREN H
SCHURMANN BL
LIPPITZ A
UNGER WES
Citation: Lgm. Pettersson et al., ASSEMBLY AND DECOMPOSITION OF BUILDING-BLOCKS TO ANALYZE POLYMER NEXAFS SPECTRA, International journal of quantum chemistry, 63(3), 1997, pp. 749-765
Authors:
PASCUAL JL
PETTERSSON LGM
Citation: Jl. Pascual et Lgm. Pettersson, ELECTROSTATIC POTENTIAL FROM EMBEDDED CLUSTERS, Chemical physics letters, 270(3-4), 1997, pp. 351-356
Authors:
YANG L
AGREN H
CARRAVETTA V
PETTERSSON LGM
Citation: L. Yang et al., STATIC EXCHANGE AND QUANTUM-DEFECT ANALYSIS OF X-RAY-ABSORPTION SPECTRA OF CARBONYL-COMPOUNDS, Physica scripta. T, 54(6), 1996, pp. 614-624
Authors:
AGREN H
CARRAVETTA V
PETTERSSON LGM
VAHTRAS O
Citation: H. Agren et al., STATIC EXCHANGE AND CLUSTER MODELING OF CORE ELECTRON SHAKEUP SPECTRAOF SURFACE ADSORBATES - CO CU(100)/, Physical review. B, Condensed matter, 53(23), 1996, pp. 16074-16085
Authors:
TRIGUERO L
WAHLGREN U
PETTERSSON LGM
SIEGBAHN P
Citation: L. Triguero et al., DFT AND MO CALCULATIONS OF ATOMIC AND MOLECULAR CHEMISORPTION ENERGIES ON SURFACE CLUSTER-MODELS, Theoretica Chimica Acta, 94(5), 1996, pp. 297-310
Authors:
CARRAVETTA V
PETTERSSON LGM
VAHTRAS O
AGREN H
Citation: V. Carravetta et al., SELF-CONSISTENT-FIELD CALCULATIONS OF X-RAY-EMISSION SPECTRA OF SURFACE ADSORBATES - CO CU(100)/, Surface science, 369(1-3), 1996, pp. 146-158
Authors:
PETTERSSON LGM
AGREN H
VAHTRAS O
CARRAVETTA V
Citation: Lgm. Pettersson et al., CLUSTER MODELING OF CORE ELECTRON PHOTOABSORPTION OF CO ADSORBED ON CU(100), Surface science, 365(3), 1996, pp. 581-590
Authors:
NYGREN MA
PETTERSSON LGM
Citation: Ma. Nygren et Lgm. Pettersson, H2O INTERACTION WITH THE POLAR CU2O(100) SURFACE - A THEORETICAL-STUDY, Journal of physical chemistry, 100(5), 1996, pp. 1874-1878
Authors:
NYBERG M
NYGREN MA
PETTERSSON LGM
GAY DH
ROHL AL
Citation: M. Nyberg et al., HYDROGEN DISSOCIATION ON RECONSTRUCTED ZNO SURFACES, Journal of physical chemistry, 100(21), 1996, pp. 9054-9063
Authors:
NYGREN MA
PETTERSSON LGM
FREITAG A
STAEMMLER V
GAY DH
ROHL AL
Citation: Ma. Nygren et al., THEORETICAL-MODELS OF THE POLAR CU2O(100) CU-TERMINATED SURFACE(), Journal of physical chemistry, 100(1), 1996, pp. 294-298