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19. Schmittel, M; Steffen, JP; Maywald, M; Engels, B; Helten, H; Musch, P
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21. Dua, S; Bowie, JH
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22. Cross, W; Hawkes, GE; Kroemer, RT; Liedl, KR; Loerting, T; Nasser, R; Pritchard, RG; Steele, M; Watkinson, M; Whiting, A
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23. Blockhuys, F; Hinchley, SL; Robertson, HE; Blake, AJ; McNab, H; Despinoy, XLM; Harris, SG; Rankin, DWH
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24. Alifantes, J; Lapis, AAM; Martins, JED; Costa, VEU
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25. Lill, SON; Pettersen, D; Amedjkouh, M; Ahlberg, P
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26. Andrews, PC; Armstrong, DR; Raston, CL; Roberts, BA; Skelton, BW; White, AH
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27. Armstrong, DR; Clegg, W; Mulvey, RE; Rowlings, RB
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28. Hinchley, SL; Smart, BA; Morrison, C; Robertson, HE; Rankin, DWH; Coxall, RA; Parsons, S; Zink, R; Siegl, H; Hassler, K; Mawhorter, R
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49. Schreiber, M; Buss, V; Fulscher, MP
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50. Lin, H; He, SG; Wang, XG; Yuan, LF; Burger, H; D'Eu, JF; Reuter, N; Thiel, W
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51. Auer, AA; Gauss, J
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52. Davey, JB; Legon, AC
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53. Hocquet, A
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56. Juselus, J; Sundholm, D
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57. Botschwina, P; Stoll, H
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58. Cook, PA; Ashfold, MNR; Jee, YJ; Jung, KH; Harich, S; Yang, XM
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59. Zink, R; Tekautz, G; Kleewein, A; Hassler, K
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60. Naumkin, FY
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62. Calzado, CJ; Malrieu, JP
    Ab initio determination of an extended Heisenberg Hamiltonian in CuO2 layers
    EUROPEAN PHYSICAL JOURNAL B
    
    C.J. Calzado e J.P. Malrieu, "Ab initio determination of an extended Heisenberg Hamiltonian in CuO2 layers", EUR PHY J B, 21(3), 2001, pp. 375-381
63. Jodicke, T; Menges, F; Kehr, G; Erker, G; Howeler, U; Frohlich, R
    Conformational features of group-4 ansa-metallocenes with long -(CH2)(n) -Chains connecting their cyclopentadienyl ligands
    EUROPEAN JOURNAL OF INORGANIC CHEMISTRY
    
    T. Jodicke et al., "Conformational features of group-4 ansa-metallocenes with long -(CH2)(n) -Chains connecting their cyclopentadienyl ligands", EUR J INORG, (8), 2001, pp. 2097-2106
64. Pettinari, C; Marchetti, F; Cingolani, A; Gindulyte, A; Massa, L; Rossi, M; Caruso, F
    syn-anti Conversion in octahedral bis(beta-diketonato)diorganotin(IV) derivatives containing fluorinated 4-acyl-5-pyrazolonato donors
    EUROPEAN JOURNAL OF INORGANIC CHEMISTRY
    
    C. Pettinari et al., "syn-anti Conversion in octahedral bis(beta-diketonato)diorganotin(IV) derivatives containing fluorinated 4-acyl-5-pyrazolonato donors", EUR J INORG, (8), 2001, pp. 2171-2180
65. Deubel, DV; Sundermeyer, J; Frenking, G
    Olefin epoxidation with transition metal eta(2)-peroxo complexes: The control of reactivity
    EUROPEAN JOURNAL OF INORGANIC CHEMISTRY
    
    D.V. Deubel et al., "Olefin epoxidation with transition metal eta(2)-peroxo complexes: The control of reactivity", EUR J INORG, (7), 2001, pp. 1819-1827
66. Strohmann, C; Ulbrich, O; Auer, D
    Crystal structures and Si-29 NMR calculations of amino-functionalized silyllithium compounds
    EUROPEAN JOURNAL OF INORGANIC CHEMISTRY
    
    C. Strohmann et al., "Crystal structures and Si-29 NMR calculations of amino-functionalized silyllithium compounds", EUR J INORG, (4), 2001, pp. 1013-1018
67. Fox, T; Burger, P
    Photochemically induced silicon-carbon bond cleavage in a dimethylsilyl-bridged dicyclopentadienyl diruthenium complex
    EUROPEAN JOURNAL OF INORGANIC CHEMISTRY
    
    T. Fox e P. Burger, "Photochemically induced silicon-carbon bond cleavage in a dimethylsilyl-bridged dicyclopentadienyl diruthenium complex", EUR J INORG, (3), 2001, pp. 795-803
68. Schoeller, W; Rozhenko, AB
    On the stabilisation of a singlet nitrene by the phosphaniminato and related imine-type substituents, a quantum chemical investigation
    EUROPEAN JOURNAL OF INORGANIC CHEMISTRY
    
    W. Schoeller e A.B. Rozhenko, "On the stabilisation of a singlet nitrene by the phosphaniminato and related imine-type substituents, a quantum chemical investigation", EUR J INORG, (3), 2001, pp. 845-850
69. Uhl, W; Breher, F; Mbonimana, A; Gauss, J; Haase, D; Lutzen, A; Saak, W
    New carbaalanes - (AlMe)(8)(CCH2Me)(5)(C=C-Me) and the THF adduct (AlMe)(8)(CCH2Me)(5)H center dot 2THF
    EUROPEAN JOURNAL OF INORGANIC CHEMISTRY
    
    W. Uhl et al., "New carbaalanes - (AlMe)(8)(CCH2Me)(5)(C=C-Me) and the THF adduct (AlMe)(8)(CCH2Me)(5)H center dot 2THF", EUR J INORG, (12), 2001, pp. 3059-3066
70. Schoeller, WW; Rozhenko, AB; Grigoleit, S
    On the d(6)-transition metal complex formation of electron-rich methylenephosphanes, a quantum chemical investigation
    EUROPEAN JOURNAL OF INORGANIC CHEMISTRY
    
    W.W. Schoeller et al., "On the d(6)-transition metal complex formation of electron-rich methylenephosphanes, a quantum chemical investigation", EUR J INORG, (11), 2001, pp. 2891-2898
71. Bonchio, M; Bortolini, O; Conte, V; Moro, S
    Characterization and reactivity of triperoxo vanadium complexes in protic solvents
    EUROPEAN JOURNAL OF INORGANIC CHEMISTRY
    
    M. Bonchio et al., "Characterization and reactivity of triperoxo vanadium complexes in protic solvents", EUR J INORG, (11), 2001, pp. 2913-2919
72. Schatzschneider, U; Weyhermuller, T; Rentschler, E
    Metal complexes with nitronyl nitroxide substituted phenolate ligands providing new magnetic exchange interaction pathways - Synthesis, structures, magnetic dilution studies, and ab initio calculations
    EUROPEAN JOURNAL OF INORGANIC CHEMISTRY
    
    U. Schatzschneider et al., "Metal complexes with nitronyl nitroxide substituted phenolate ligands providing new magnetic exchange interaction pathways - Synthesis, structures, magnetic dilution studies, and ab initio calculations", EUR J INORG, (10), 2001, pp. 2569-2586
73. Buhl, M; Terstegen, F; Loffler, F; Meynhardt, B; Kierse, S; Muller, M; Nather, C; Luning, U
    On the mechanism and stereoselectivity of the copper(I)-catalyzed cyclopropanation of olefins - A combined experimental and density functional study
    EUROPEAN JOURNAL OF ORGANIC CHEMISTRY
    
    M. Buhl et al., "On the mechanism and stereoselectivity of the copper(I)-catalyzed cyclopropanation of olefins - A combined experimental and density functional study", EUR J ORG C, (11), 2001, pp. 2151-2160
74. Hess, BA
    Do bicyclic forms of m- and p-benzyne exist?
    EUROPEAN JOURNAL OF ORGANIC CHEMISTRY
    
    B.A. Hess, "Do bicyclic forms of m- and p-benzyne exist?", EUR J ORG C, (11), 2001, pp. 2185-2189
75. Brown, SP; Schaller, T; Seelbach, UP; Koziol, F; Ochsenfeld, C; Klarner, FG; Spiess, HW
    Structure and dynamics of the host-guest complex of a molecular tweezer: Coupling synthesis, solid-state NMR, and quantum-chemical calculations
    ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
    
    S.P. Brown et al., "Structure and dynamics of the host-guest complex of a molecular tweezer: Coupling synthesis, solid-state NMR, and quantum-chemical calculations", ANGEW CHEM, 40(4), 2001, pp. 717-720
76. Schisler, A; Lonnecke, P; Huniar, U; Ahlrichs, R; Hey-Hawkins, E
    Sodium tetra-tert-butylcyclopentaphosphanide: Synthesis, structure, and unexpected formation of a nickel(0) tri-tert-butylcyclopentaphosphene complex
    ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
    
    A. Schisler et al., "Sodium tetra-tert-butylcyclopentaphosphanide: Synthesis, structure, and unexpected formation of a nickel(0) tri-tert-butylcyclopentaphosphene complex", ANGEW CHEM, 40(22), 2001, pp. 4217-4219
77. Musch, PW; Engels, B
    Which structural elements are relevant for the efficacy of neocarzinostatin?
    ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
    
    P.W. Musch e B. Engels, "Which structural elements are relevant for the efficacy of neocarzinostatin?", ANGEW CHEM, 40(20), 2001, pp. 3833
78. Haenel, MW; Oevers, S; Angermund, K; Kaska, WC; Fan, HJ; Hall, MB
    Thermally stable homogeneous catalysts for alkane dehydrogenation
    ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
    
    M.W. Haenel et al., "Thermally stable homogeneous catalysts for alkane dehydrogenation", ANGEW CHEM, 40(19), 2001, pp. 3596
79. Reinhardt, S; Marian, CM; Frank, I
    The influence of excess ammonia on the mechanism of the reaction of boron trichloride with ammonia - An ab initio molecular dynamics study
    ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
    
    S. Reinhardt et al., "The influence of excess ammonia on the mechanism of the reaction of boron trichloride with ammonia - An ab initio molecular dynamics study", ANGEW CHEM, 40(19), 2001, pp. 3683
80. Fernandez, I; Ruiz, R; Faus, J; Julve, M; Lloret, F; Cano, J; Ottenwaelder, X; Journaux, Y; Munoz, MC
    Ferromagnetic coupling through spin polarization in a dinuclear copper(II)metallacyclophane
    ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
    
    I. Fernandez et al., "Ferromagnetic coupling through spin polarization in a dinuclear copper(II)metallacyclophane", ANGEW CHEM, 40(16), 2001, pp. 3039-3042
81. Cacace, F; de Petris, G; Rosi, M; Troiani, A
    Ionization of O-3 in excess N-2: A new route to N2O via intermediate N2O3+complexes
    ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
    
    F. Cacace et al., "Ionization of O-3 in excess N-2: A new route to N2O via intermediate N2O3+complexes", ANGEW CHEM, 40(10), 2001, pp. 1938-1941
82. Reiher, M; Sellmann, D; Hess, BA
    Stabilization of diazene in Fe(II)-sulfur model complexes relevant for nitrogenase activity. I. A new approach to the evaluation of intramolecular hydrogen bond energies
    THEORETICAL CHEMISTRY ACCOUNTS
    
    M. Reiher et al., "Stabilization of diazene in Fe(II)-sulfur model complexes relevant for nitrogenase activity. I. A new approach to the evaluation of intramolecular hydrogen bond energies", THEOR CH AC, 106(6), 2001, pp. 379-392
83. Chen, ZF; Jiao, HJ; Buhl, M; Hirsch, A; Thiel, W
    Theoretical investigation into structures and magnetic properties of smaller fullerenes and their heteroanalogues
    THEORETICAL CHEMISTRY ACCOUNTS
    
    Z.F. Chen et al., "Theoretical investigation into structures and magnetic properties of smaller fullerenes and their heteroanalogues", THEOR CH AC, 106(5), 2001, pp. 352-363
84. Jaszunski, M; Rizzo, A; Jorgensen, P
    Coupled-cluster calculation of dispersion contributions to interaction energies and polarizabilities
    THEORETICAL CHEMISTRY ACCOUNTS
    
    M. Jaszunski et al., "Coupled-cluster calculation of dispersion contributions to interaction energies and polarizabilities", THEOR CH AC, 106(4), 2001, pp. 251-258
85. Sekiya, M; Noro, T; Osanai, Y; Koga, T
    Contracted polarization functions for the atoms Ca, Ga-Kr, Sr, and In-Xe
    THEORETICAL CHEMISTRY ACCOUNTS
    
    M. Sekiya et al., "Contracted polarization functions for the atoms Ca, Ga-Kr, Sr, and In-Xe", THEOR CH AC, 106(4), 2001, pp. 297-300
86. Masamura, M
    The effect of basis set superposition error on the convergence of interaction energies
    THEORETICAL CHEMISTRY ACCOUNTS
    
    M. Masamura, "The effect of basis set superposition error on the convergence of interaction energies", THEOR CH AC, 106(4), 2001, pp. 301-313
87. Ricca, A; Bauschlicher, CW
    A correlation-consistent basis set for Fe
    THEORETICAL CHEMISTRY ACCOUNTS
    
    A. Ricca e C.W. Bauschlicher, "A correlation-consistent basis set for Fe", THEOR CH AC, 106(4), 2001, pp. 314-318
88. Tomonari, M; Tanaka, K
    Ab-initio study on low-lying states of the TiSi molecule
    THEORETICAL CHEMISTRY ACCOUNTS
    
    M. Tomonari e K. Tanaka, "Ab-initio study on low-lying states of the TiSi molecule", THEOR CH AC, 106(3), 2001, pp. 188-193
89. Salazar, MC; Paz, JL; Hernandez, AJ; Manzanares, CI; Ludena, EV
    A density functional theory test study on the N2 center dot center dot center dot He dimer
    THEORETICAL CHEMISTRY ACCOUNTS
    
    M.C. Salazar et al., "A density functional theory test study on the N2 center dot center dot center dot He dimer", THEOR CH AC, 106(3), 2001, pp. 218-222
90. Raub, S; Jansen, G
    A quantitative measure of bond polarity from the electron localization function and the theory of atoms in molecules
    THEORETICAL CHEMISTRY ACCOUNTS
    
    S. Raub e G. Jansen, "A quantitative measure of bond polarity from the electron localization function and the theory of atoms in molecules", THEOR CH AC, 106(3), 2001, pp. 223-232
91. Halls, MD; Velkovski, J; Schlegel, HB
    Harmonic frequency scaling factors for Hartree-Fock, S-VWN, B-LYP, B3-LYP,B3-PW91 and MP2 with the Sadlej pVTZ electric property basis set
    THEORETICAL CHEMISTRY ACCOUNTS
    
    M.D. Halls et al., "Harmonic frequency scaling factors for Hartree-Fock, S-VWN, B-LYP, B3-LYP,B3-PW91 and MP2 with the Sadlej pVTZ electric property basis set", THEOR CH AC, 105(6), 2001, pp. 413-421
92. Ryde, U; Olsson, MHM; Roos, BO; Borin, AC
    A theoretical study of the copper-cysteine bond in blue copper proteins
    THEORETICAL CHEMISTRY ACCOUNTS
    
    U. Ryde et al., "A theoretical study of the copper-cysteine bond in blue copper proteins", THEOR CH AC, 105(6), 2001, pp. 452-462
93. Cooper, DL
    Spin-coupled description of the chemical bonding to hypercoordinate chlorine
    THEORETICAL CHEMISTRY ACCOUNTS
    
    D.L. Cooper, "Spin-coupled description of the chemical bonding to hypercoordinate chlorine", THEOR CH AC, 105(4-5), 2001, pp. 323-327
94. Faegri, K
    Relativistic Gaussian basis sets for the elements K-Uuo
    THEORETICAL CHEMISTRY ACCOUNTS
    
    K. Faegri, "Relativistic Gaussian basis sets for the elements K-Uuo", THEOR CH AC, 105(3), 2001, pp. 252-258
95. Angeli, C; Cimiraglia, R
    Multireference perturbation CI IV. Selection procedure for one-electron properties
    THEORETICAL CHEMISTRY ACCOUNTS
    
    C. Angeli e R. Cimiraglia, "Multireference perturbation CI IV. Selection procedure for one-electron properties", THEOR CH AC, 105(3), 2001, pp. 259-264
96. Probst, M; Deutsch, H; Becker, K; Mark, TD
    Calculations of absolute electron-impact ionization cross sections for molecules of technological relevance using the DM formalism
    INTERNATIONAL JOURNAL OF MASS SPECTROMETRY
    
    M. Probst et al., "Calculations of absolute electron-impact ionization cross sections for molecules of technological relevance using the DM formalism", INT J MASS, 206(1-2), 2001, pp. 13-25
97. Pascoli, G; Lavendy, H
    Comparative ab initio studies of heteroatom-doped carbon clusters CnXp+ (X= P, S; n+p=3-6)
    INTERNATIONAL JOURNAL OF MASS SPECTROMETRY
    
    G. Pascoli e H. Lavendy, "Comparative ab initio studies of heteroatom-doped carbon clusters CnXp+ (X= P, S; n+p=3-6)", INT J MASS, 206(1-2), 2001, pp. 153-176
98. Bluhm, BK; Shields, SJ; Bayse, CA; Hall, MB; Russell, DH
    Determination of copper binding sites in peptides containing basic residues: a combined experimental and theoretical study
    INTERNATIONAL JOURNAL OF MASS SPECTROMETRY
    
    B.K. Bluhm et al., "Determination of copper binding sites in peptides containing basic residues: a combined experimental and theoretical study", INT J MASS, 204(1-3), 2001, pp. 31-46
99. Atzei, D; De Filippo, D; Rossi, A; Porcelli, M
    X-ray photoelectron spectra of Pd(II) and Pt(II) complexes with 1,3-thiazolidine-2-thione. A quantum mechanics study on the free ligand
    SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
    
    D. Atzei et al., "X-ray photoelectron spectra of Pd(II) and Pt(II) complexes with 1,3-thiazolidine-2-thione. A quantum mechanics study on the free ligand", SPECT ACT A, 57(5), 2001, pp. 1073-1083
100. Dickens, JE; Irvine, WM; Nummelin, A; Mollendal, H; Saito, S; Thorwirth, S; Hjalmarson, A; Ohishi, M
     Searches for new interstellar molecules, including a tentative detection of aziridine and a possible detection of propenal
     SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
     
     J.E. Dickens et al., "Searches for new interstellar molecules, including a tentative detection of aziridine and a possible detection of propenal", SPECT ACT A, 57(4), 2001, pp. 643-660