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Results: 1-25/57
Authors:
FANGSTROM T
LUNELL S
KASAI PH
ERIKSSON LA
Citation: T. Fangstrom et al., THEORETICAL-STUDY OF THE INSERTION REACTIONS OF ALUMINUM WITH H2O, NH3, HCL, AND CL-2, The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 102(6), 1998, pp. 1005-1017
Authors:
RENSMO H
LUNELL S
SIEGBAHN H
Citation: H. Rensmo et al., ABSORPTION AND ELECTROCHEMICAL PROPERTIES OF RUTHENIUM(II) DYES, STUDIED BY SEMIEMPIRICAL QUANTUM-CHEMICAL CALCULATIONS, Journal of photochemistry and photobiology. A, Chemistry, 114(2), 1998, pp. 117-124
Authors:
FANGSTROM T
KIRRANDER A
ERIKSSON LA
LUNELL S
Citation: T. Fangstrom et al., THE REACTION BETWEEN ALUMINUM AND DIMETHYL ETHER - COMPARATIVE-STUDY OF DENSITY-FUNCTIONAL THEORY AND EPR RESULTS, Journal of the Chemical Society. Faraday transactions, 94(6), 1998, pp. 777-782
Authors:
LARSSON K
LUNELL S
Citation: K. Larsson et S. Lunell, ADSORPTION OF HALOGEN-CONTAINING METHANE ON DIAMOND, DIAMOND AND RELATED MATERIALS, 7(8), 1998, pp. 1138-1143
Authors:
AGBACK M
LUNELL S
HUSSENIUS A
MATSSON O
Citation: M. Agback et al., THEORETICAL-STUDIES OF PROTON-TRANSFER REACTIONS IN 1-METHYLINDENE, Acta chemica Scandinavica, 52(5), 1998, pp. 541-548
Authors:
SALHIBENACHENHOU N
ENGELS B
HUANG MB
LUNELL S
Citation: N. Salhibenachenhou et al., THEORETICAL-STUDY OF THE ETHYLENE RADICAL-CATION - GEOMETRY AND HYPERFINE-STRUCTURE, Chemical physics, 236(1-3), 1998, pp. 53-61
Authors:
EDVARDSSON D
LUNELL S
RAKOWITZ F
MARIAN CM
KARLSSON L
Citation: D. Edvardsson et al., CALCULATION OF PREDISSOCIATION RATES IN O-2(2-INITIO MRD-CI METHODS()BY AB), Chemical physics, 229(2-3), 1998, pp. 203-216
Authors:
PERSSON P
STASHANS A
BERGSTROM R
LUNELL S
Citation: P. Persson et al., PERIODIC INDO CALCULATIONS OF ORGANIC ADSORBATES ON A TIO2 SURFACE, International journal of quantum chemistry, 70(4-5), 1998, pp. 1055-1066
Authors:
BUSTAD J
LUNELL S
Citation: J. Bustad et S. Lunell, SEMIEMPIRICAL CONFIGURATION-INTERACTION CALCULATIONS OF XPS SHAKE-UP SATELLITES IN NI(CO)(4), International journal of quantum chemistry, 69(5), 1998, pp. 649-657
Authors:
FANGSTROM T
EDVARDSSON D
ERICSSON M
LUNELL S
ENKVIST C
Citation: T. Fangstrom et al., DENSITY-FUNCTIONAL STUDY OF CHLORINE-OXYGEN COMPOUNDS RELATED TO THE CLO SELF-REACTION, International journal of quantum chemistry, 66(3), 1998, pp. 203-217
Authors:
WANG P
SHIOTANI M
LUNELL S
Citation: P. Wang et al., STRUCTURE AND DYNAMICS OF RADICAL CATIONS OF SELECTIVELY DEUTERIATED CYCLOHEXANES - AN ESR AND AB-INITIO STUDY, Chemical physics letters, 292(1-2), 1998, pp. 110-114
Authors:
SALHIBENACHENHOU N
ALVAREZIDABOY JR
LUNELL S
ERIKSSON LA
Citation: N. Salhibenachenhou et al., FORMATION OF 2-HEXENE BY CATIONIC DIMERIZATION OF PROPENE - AN AB-INITIO AND DENSITY-FUNCTIONAL THEORY STUDY, Theoretical chemistry accounts, 97(1-4), 1997, pp. 277-282
Authors:
FANGSTROM T
ERIKSSON LA
LUNELL S
Citation: T. Fangstrom et al., THEORETICAL INVESTIGATION OF THE REACTION BETWEEN ALUMINUM AND PROPENE - COMPARISON BETWEEN CALCULATED AND EXPERIMENTAL ESR RESULTS, The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 101(26), 1997, pp. 4814-4820
Authors:
LARSSON K
LUNELL S
Citation: K. Larsson et S. Lunell, STABILITY OF HALOGEN-TERMINATED DIAMOND(111) SURFACES, The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 101(1), 1997, pp. 76-82
DENSITY-FUNCTIONAL STUDY OF THE HEXAMETHYL-(DEWAR BENZENE) RADICAL-CATION AND SOME RELATED-COMPOUNDS
Authors:
SALHIBENACHENHOU N
ERIKSSON LA
LUNELL S
Citation: N. Salhibenachenhou et al., DENSITY-FUNCTIONAL STUDY OF THE HEXAMETHYL-(DEWAR BENZENE) RADICAL-CATION AND SOME RELATED-COMPOUNDS, Acta chemica Scandinavica, 51(5), 1997, pp. 636-640
Authors:
LUNELL S
Citation: S. Lunell, 14TH INTERNATIONAL-CONFERENCE ON RADICAL IONS, UPPSALA, SWEDEN, JULY 1-5, 1996 .1. FOREWORD, Acta chemica Scandinavica, 51(2), 1997, pp. 125-125
Authors:
SALHIBENACHENHOU N
ALVAREZIDABOY JR
LUNELL S
Citation: N. Salhibenachenhou et al., MODEL-CALCULATIONS OF MATRIX EFFECTS ON THE CONVERSION OF PROPENE RADICAL CATIONS INTO ALLYL RADICALS IN HALOCARBON MATRICES, Acta chemica Scandinavica, 51(2), 1997, pp. 242-248
Authors:
ENKVIST C
LUNELL S
SVENSSON S
Citation: C. Enkvist et al., EXPERIMENTAL AND THEORETICAL-STUDY OF THE C-1S SHAKEUP SPECTRA FROM BIPHENYL AND P-TERPHENYL, Chemical physics, 214(1), 1997, pp. 123-130
Authors:
DONG XC
SALHIBENACHENHOU N
LUNELL S
Citation: Xc. Dong et al., A THEORETICAL-STUDY OF THE CATIONIC DIMERIZATION AND POLYMERIZATION OF ISOBUTENE, Journal of molecular structure. Theochem, 392, 1997, pp. 111-124
Authors:
FANGSTROM T
LUNELL S
ENGELS B
ERIKSSON LA
SHIOTANI M
KOMAGUCHI K
Citation: T. Fangstrom et al., STRUCTURE AND DYNAMICS OF THE SILACYCLOBUTANE RADICAL-CATION, STUDIEDBY AB-INITIO AND DENSITY-FUNCTIONAL THEORY AND ELECTRON-SPIN-RESONANCE SPECTROSCOPY, The Journal of chemical physics, 107(2), 1997, pp. 297-306
Authors:
STASHANS A
LUNELL S
Citation: A. Stashans et S. Lunell, SEMIEMPIRICAL CALCULATIONS ON WO3 AND MXWO3 CRYSTALS (M=H, LI, NA), International journal of quantum chemistry, 63(3), 1997, pp. 729-735
Authors:
LOWDEN PO
BRANDAS E
OHRN Y
GOSCINSKI O
SABIN JR
LUNELL S
ZERNER M
Citation: Po. Lowden et al., MEMORY OF CALAIS,JEAN,LOUIS - INTRODUCTION, International journal of quantum chemistry, 63(1), 1997, pp. 1
Authors:
ENKVIST C
EDVARDSSON D
LUNELL S
Citation: C. Enkvist et al., SPIN COUPLING IN SHAKE-UP PROCESSES, International journal of quantum chemistry, 63(1), 1997, pp. 189-196
Authors:
LOWDIN PO
BRANDAS E
GOSCINSKI O
LUNELL S
SABIN JR
ZERNER MC
OHRN NY
Citation: Po. Lowdin et al., UNTITLED, International journal of quantum chemistry, 61(1), 1997, pp. 5-5
Authors:
LUNELL S
STASHANS A
OJAMAE L
LINDSTROM H
HAGFELDT A
Citation: S. Lunell et al., LI AND NA DIFFUSION IN TIO2 FROM QUANTUM-CHEMICAL THEORY VERSUS ELECTROCHEMICAL EXPERIMENT, Journal of the American Chemical Society, 119(31), 1997, pp. 7374-7380