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1. Cremer, D; Wu, AA; Kraka, E
   The mechanism of the reaction FH+H2C=CH2 -> H3C-CFH2. Investigation of hidden intermediates with the unified reaction valley approach
   PHYSICAL CHEMISTRY CHEMICAL PHYSICS
   
   D. Cremer et al., "The mechanism of the reaction FH+H2C=CH2 -> H3C-CFH2. Investigation of hidden intermediates with the unified reaction valley approach", PHYS CHEM P, 3(5), 2001, pp. 674-687
2. He, Y; He, Z; Cremer, D
   Comparison of CCSDT-n methods with coupled-cluster theory with single and double excitations and coupled-cluster theory with single, double, and triple excitations in terms of many-body perturbation theory - what is the mosteffective triple-excitation method?
   THEORETICAL CHEMISTRY ACCOUNTS
   
   Y. He et al., "Comparison of CCSDT-n methods with coupled-cluster theory with single and double excitations and coupled-cluster theory with single, double, and triple excitations in terms of many-body perturbation theory - what is the mosteffective triple-excitation method?", THEOR CH AC, 105(3), 2001, pp. 182-196
3. Kraka, E; He, Y; Cremer, D
   Quantum chemical descriptions of FOOF: The unsolved problem of predicting its equilibrium geometry
   JOURNAL OF PHYSICAL CHEMISTRY A
   
   E. Kraka et al., "Quantum chemical descriptions of FOOF: The unsolved problem of predicting its equilibrium geometry", J PHYS CH A, 105(13), 2001, pp. 3269-3276
4. De Cremer, D
   Perceptions of group homogeneity as a function of social comparison: The mediating role of group identity
   CURRENT PSYCHOLOGY
   
   D. De Cremer, "Perceptions of group homogeneity as a function of social comparison: The mediating role of group identity", CURR PSYCHO, 20(2), 2001, pp. 138-146
5. Cremer, D; Zimmer, C
   Improved modelling of external networks in operation and operational planning of interconnected power systems
   ELECTRICAL ENGINEERING
   
   D. Cremer e C. Zimmer, "Improved modelling of external networks in operation and operational planning of interconnected power systems", ELECTRI ENG, 83(5-6), 2001, pp. 291-296
6. De Cremer, D; Van Lange, PAM
   Why prosocials exhibit greater cooperation than proselfs: The roles of social responsibility and reciprocity
   EUROPEAN JOURNAL OF PERSONALITY
   
   D. De Cremer e P.A.M. Van Lange, "Why prosocials exhibit greater cooperation than proselfs: The roles of social responsibility and reciprocity", EUR J PERS, 15, 2001, pp. S5-S18
7. Kraka, E; Cremer, D
   The para-didehydropyridine, para-didehydropyridinium, and related biradicals - A contribution to the chemistry of enediyne antitumor drugs
   JOURNAL OF COMPUTATIONAL CHEMISTRY
   
   E. Kraka e D. Cremer, "The para-didehydropyridine, para-didehydropyridinium, and related biradicals - A contribution to the chemistry of enediyne antitumor drugs", J COMPUT CH, 22(2), 2001, pp. 216-229
8. de Cremer, D; Snyder, M; Dewitte, S
   'The less I trust, the less I contribute (or not)?' The effects of trust, accountability and self-monitoring in social dilemmas
   EUROPEAN JOURNAL OF SOCIAL PSYCHOLOGY
   
   D. de Cremer et al., "'The less I trust, the less I contribute (or not)?' The effects of trust, accountability and self-monitoring in social dilemmas", EUR J SOC P, 31(1), 2001, pp. 93-107
9. Cremer, D
   Density functional theory: coverage of dynamic and non-dynamic electron correlation effects
   MOLECULAR PHYSICS
   
   D. Cremer, "Density functional theory: coverage of dynamic and non-dynamic electron correlation effects", MOLEC PHYS, 99(23), 2001, pp. 1899-1940
10. Grafenstein, J; Cremer, D
    On the diagnostic value of (S)over-cap(2) in Kohn-Sham density functional theory
    MOLECULAR PHYSICS
    
    J. Grafenstein e D. Cremer, "On the diagnostic value of (S)over-cap(2) in Kohn-Sham density functional theory", MOLEC PHYS, 99(11), 2001, pp. 981-989
11. De Cremer, D
    Relations of self-esteem concerns, group identification, and self-stereotyping to in-group favoritism
    JOURNAL OF SOCIAL PSYCHOLOGY
    
    D. De Cremer, "Relations of self-esteem concerns, group identification, and self-stereotyping to in-group favoritism", J SOC PSYCH, 141(3), 2001, pp. 389-400
12. De Cremer, D
    Effects of roles and performance feedback on the equality rule in resource-sharing tasks
    JOURNAL OF SOCIAL PSYCHOLOGY
    
    D. De Cremer, "Effects of roles and performance feedback on the equality rule in resource-sharing tasks", J SOC PSYCH, 141(1), 2001, pp. 153-155
13. Dewitte, S; De Cremer, D
    Self-control and cooperation: Different concepts, similar decisions? A question of the right perspective
    JOURNAL OF PSYCHOLOGY
    
    S. Dewitte e D. De Cremer, "Self-control and cooperation: Different concepts, similar decisions? A question of the right perspective", J PSYCHOL, 135(2), 2001, pp. 133-153
14. Cremer, D; Kraka, E; He, Y
    Exact geometries from quantum chemical calculations
    JOURNAL OF MOLECULAR STRUCTURE
    
    D. Cremer et al., "Exact geometries from quantum chemical calculations", J MOL STRUC, 567, 2001, pp. 275-293
15. Christen, D; Coudert, LH; Larsson, JA; Cremer, D
    The rotational-torsional spectrum of the g ' Gg conformer of ethylene glycol: Elucidation of an unusual tunneling path
    JOURNAL OF MOLECULAR SPECTROSCOPY
    
    D. Christen et al., "The rotational-torsional spectrum of the g ' Gg conformer of ethylene glycol: Elucidation of an unusual tunneling path", J MOL SPECT, 205(2), 2001, pp. 185-196
16. Tarakeshwar, P; Kim, KS; Kraka, E; Cremer, D
    Structure and stability of fluorine-substituted benzene-argon complexes: The decisive role of exchange-repulsion and dispersion interactions
    JOURNAL OF CHEMICAL PHYSICS
    
    P. Tarakeshwar et al., "Structure and stability of fluorine-substituted benzene-argon complexes: The decisive role of exchange-repulsion and dispersion interactions", J CHEM PHYS, 115(13), 2001, pp. 6018-6029
17. Crawford, TD; Kraka, E; Stanton, JF; Cremer, D
    Problematic p-benzyne: Orbital instabilities, biradical character, and broken symmetry
    JOURNAL OF CHEMICAL PHYSICS
    
    T.D. Crawford et al., "Problematic p-benzyne: Orbital instabilities, biradical character, and broken symmetry", J CHEM PHYS, 114(24), 2001, pp. 10638-10650
18. Kraka, E; Anglada, J; Hjerpe, A; Filatov, M; Cremer, D
    m-benzyne and bicyclo[3.1.0]hexatriene - which isomer is more stable? - a quantum chemical investigation
    CHEMICAL PHYSICS LETTERS
    
    E. Kraka et al., "m-benzyne and bicyclo[3.1.0]hexatriene - which isomer is more stable? - a quantum chemical investigation", CHEM P LETT, 348(1-2), 2001, pp. 115-125
19. Cremer, D; Kraka, E; Crehuet, R; Anglada, J; Grafenstein, J
    The ozone-acetylene reaction: concerted or non-concerted reaction mechanism? A quantum chemical investigation
    CHEMICAL PHYSICS LETTERS
    
    D. Cremer et al., "The ozone-acetylene reaction: concerted or non-concerted reaction mechanism? A quantum chemical investigation", CHEM P LETT, 347(1-3), 2001, pp. 268-276
20. Cremer, D; Kraka, E; Sosa, C
    First evidence for the production of OH radicals by carbonyl oxides in solution phase - A DFT investigation
    CHEMICAL PHYSICS LETTERS
    
    D. Cremer et al., "First evidence for the production of OH radicals by carbonyl oxides in solution phase - A DFT investigation", CHEM P LETT, 337(1-3), 2001, pp. 199-208
21. Cremer, D; Crehuet, R; Anglada, J
    The ozonolysis of acetylene - A quantum chemical investigation
    JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
    
    D. Cremer et al., "The ozonolysis of acetylene - A quantum chemical investigation", J AM CHEM S, 123(25), 2001, pp. 6127-6141
22. Sander, W; Block, K; Kappert, W; Kirschfeld, A; Muthusamy, S; Schroeder, K; Sosa, CP; Kraka, E; Cremer, D
    Dimesitylketone O-oxide: Spectroscopic characterization, conformation, andreaction modes: OH formation and OH capture
    JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
    
    W. Sander et al., "Dimesitylketone O-oxide: Spectroscopic characterization, conformation, andreaction modes: OH formation and OH capture", J AM CHEM S, 123(11), 2001, pp. 2618-2627
23. Cremer, D; Wu, AN; Larsson, A; Kraka, E
    Some thoughts about bond energies, bond lengths, and force constants
    JOURNAL OF MOLECULAR MODELING
    
    D. Cremer et al., "Some thoughts about bond energies, bond lengths, and force constants", J MOL MODEL, 6(4), 2000, pp. 396-412
24. Grafenstein, J; Cremer, D
    Can density functional theory describe multi-reference systems? Investigation of carbenes and organic biradicals
    PHYSICAL CHEMISTRY CHEMICAL PHYSICS
    
    J. Grafenstein e D. Cremer, "Can density functional theory describe multi-reference systems? Investigation of carbenes and organic biradicals", PHYS CHEM P, 2(10), 2000, pp. 2091-2103
25. He, Y; Cremer, D
    Analysis of fourth-order Moller-Plesset limit energies: the importance of three-electron correlation effects
    THEORETICAL CHEMISTRY ACCOUNTS
    
    Y. He e D. Cremer, "Analysis of fourth-order Moller-Plesset limit energies: the importance of three-electron correlation effects", THEOR CH AC, 105(2), 2000, pp. 110-122
26. He, Y; Cremer, D
    Spin-projected coupled-cluster theory with single and double excitations
    THEORETICAL CHEMISTRY ACCOUNTS
    
    Y. He e D. Cremer, "Spin-projected coupled-cluster theory with single and double excitations", THEOR CH AC, 105(2), 2000, pp. 132-144
27. Grafenstein, J; Hjerpe, AM; Kraka, E; Cremer, D
    An accurate description of the Bergman reaction using restricted and unrestricted DFT: Stability test, spin density, and on-top pair density
    JOURNAL OF PHYSICAL CHEMISTRY A
    
    J. Grafenstein et al., "An accurate description of the Bergman reaction using restricted and unrestricted DFT: Stability test, spin density, and on-top pair density", J PHYS CH A, 104(8), 2000, pp. 1748-1761
28. Gauss, J; Cremer, D; Stanton, JF
    The r(e) structure of cyclopropane
    JOURNAL OF PHYSICAL CHEMISTRY A
    
    J. Gauss et al., "The r(e) structure of cyclopropane", J PHYS CH A, 104(6), 2000, pp. 1319-1324
29. He, Y; Cremer, D
    Molecular geometries at sixth order Moller-Plesset perturbation theory. Atwhat order does MP theory give exact geometries?
    JOURNAL OF PHYSICAL CHEMISTRY A
    
    Y. He e D. Cremer, "Molecular geometries at sixth order Moller-Plesset perturbation theory. Atwhat order does MP theory give exact geometries?", J PHYS CH A, 104(32), 2000, pp. 7679-7688
30. Wrobel, R; Sander, W; Cremer, D; Kraka, E
    Photochemistry of butatriene - Spectroscopic evidence for the existence ofallenylcarbene
    JOURNAL OF PHYSICAL CHEMISTRY A
    
    R. Wrobel et al., "Photochemistry of butatriene - Spectroscopic evidence for the existence ofallenylcarbene", J PHYS CH A, 104(16), 2000, pp. 3819-3825
31. Sander, W; Hubert, R; Kraka, E; Grafenstein, J; Cremer, D
    4-Oxo-2,3,5,6-tetrafluorocyclohexa-2,5-dienylidene - A highly electrophilic triplet carbene
    CHEMISTRY-A EUROPEAN JOURNAL
    
    W. Sander et al., "4-Oxo-2,3,5,6-tetrafluorocyclohexa-2,5-dienylidene - A highly electrophilic triplet carbene", CHEM-EUR J, 6(24), 2000, pp. 4567-4579
32. Kraka, E; Cremer, D
    Structure and stability of enediynes containing heteroatoms - a quantum chemical investigation
    JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM
    
    E. Kraka e D. Cremer, "Structure and stability of enediynes containing heteroatoms - a quantum chemical investigation", J MOL ST-TH, 506, 2000, pp. 191-211
33. He, Y; Grafenstein, J; Kraka, E; Cremer, D
    What correlation effects are covered by density functional theory?
    MOLECULAR PHYSICS
    
    Y. He et al., "What correlation effects are covered by density functional theory?", MOLEC PHYS, 98(20), 2000, pp. 1639-1658
34. He, Y; Cremer, D
    Assessment of higher order correlation effects with the help of Moller-Plesset perturbation theory up to sixth order
    MOLECULAR PHYSICS
    
    Y. He e D. Cremer, "Assessment of higher order correlation effects with the help of Moller-Plesset perturbation theory up to sixth order", MOLEC PHYS, 98(18), 2000, pp. 1415-1432
35. De Cremer, D
    Effect of group identification on the use of attributions
    JOURNAL OF SOCIAL PSYCHOLOGY
    
    D. De Cremer, "Effect of group identification on the use of attributions", J SOC PSYCH, 140(2), 2000, pp. 267-269
36. Sychrovsky, V; Grafenstein, J; Cremer, D
    Nuclear magnetic resonance spin-spin coupling constants from coupled perturbed density functional theory
    JOURNAL OF CHEMICAL PHYSICS
    
    V. Sychrovsky et al., "Nuclear magnetic resonance spin-spin coupling constants from coupled perturbed density functional theory", J CHEM PHYS, 113(9), 2000, pp. 3530-3547
37. Oh, JJ; Park, I; Wilson, RJ; Peebles, SA; Kuczkowski, RL; Kraka, E; Cremer, D
    Structure of the chlorobenzene-argon dimer: Microwave spectrum and ab initio analysis
    JOURNAL OF CHEMICAL PHYSICS
    
    J.J. Oh et al., "Structure of the chlorobenzene-argon dimer: Microwave spectrum and ab initio analysis", J CHEM PHYS, 113(20), 2000, pp. 9051-9059
38. Forsberg, B; He, Z; He, Y; Cremer, D
    Convergence behavior of the Moller-Plesset perturbation series: Use of Feenberg scaling for the exclusion of backdoor intruder states
    INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY
    
    B. Forsberg et al., "Convergence behavior of the Moller-Plesset perturbation series: Use of Feenberg scaling for the exclusion of backdoor intruder states", INT J QUANT, 76(3), 2000, pp. 306-330
39. Yuan, H; Cremer, D
    The expectation value of the spin operator S-2 as a diagnostic tool in coupled cluster theory - The advantages of using UHF-CCSD theory for the description of homolytic dissociation
    CHEMICAL PHYSICS LETTERS
    
    H. Yuan e D. Cremer, "The expectation value of the spin operator S-2 as a diagnostic tool in coupled cluster theory - The advantages of using UHF-CCSD theory for the description of homolytic dissociation", CHEM P LETT, 324(5-6), 2000, pp. 389-402
40. He, Y; He, Z; Cremer, D
    Size-extensive quadratic CI methods including quadruple excitations: QCISDTQ and QCISDTQ(6) - On the importance of four-electron correlation effects
    CHEMICAL PHYSICS LETTERS
    
    Y. He et al., "Size-extensive quadratic CI methods including quadruple excitations: QCISDTQ and QCISDTQ(6) - On the importance of four-electron correlation effects", CHEM P LETT, 317(6), 2000, pp. 535-544
41. Grafenstein, J; Cremer, D
    The combination of density functional theory with multi-configuration methods - CAS-DFT
    CHEMICAL PHYSICS LETTERS
    
    J. Grafenstein e D. Cremer, "The combination of density functional theory with multi-configuration methods - CAS-DFT", CHEM P LETT, 316(5-6), 2000, pp. 569-577
42. Kraka, E; Cremer, D
    Computer design of anticancer drugs. A new enediyne warhead
    JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
    
    E. Kraka e D. Cremer, "Computer design of anticancer drugs. A new enediyne warhead", J AM CHEM S, 122(34), 2000, pp. 8245-8264
43. Mitzel, NW; Losehand, U; Wu, A; Cremer, D; Rankin, DWH
    (N,N-dimethylaminoxy)trifluorosilane: Strong, dipole moment driven changesin the molecular geometry studied by experiment and theory in solid, gas, and solution phases
    JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
    
    N.W. Mitzel et al., "(N,N-dimethylaminoxy)trifluorosilane: Strong, dipole moment driven changesin the molecular geometry studied by experiment and theory in solid, gas, and solution phases", J AM CHEM S, 122(18), 2000, pp. 4471-4482
44. Wrobel, R; Sander, W; Kraka, E; Cremer, D
    Reactions of dimethyl ether with atomic oxygen: A matrix isolation and a quantum chemical study
    JOURNAL OF PHYSICAL CHEMISTRY A
    
    R. Wrobel et al., "Reactions of dimethyl ether with atomic oxygen: A matrix isolation and a quantum chemical study", J PHYS CH A, 103(19), 1999, pp. 3693-3705
45. De Cremer, D; Oosterwegel, A
    Collective self-esteem, personal self-esteem, and collective efficacy in in-group and outgroup evaluations
    CURRENT PSYCHOLOGY
    
    D. De Cremer e A. Oosterwegel, "Collective self-esteem, personal self-esteem, and collective efficacy in in-group and outgroup evaluations", CURR PSYCHO, 18(4), 1999, pp. 326-339
46. De Cremer, D
    Trust and fear of exploitation in a public goods dilemma
    CURRENT PSYCHOLOGY
    
    D. De Cremer, "Trust and fear of exploitation in a public goods dilemma", CURR PSYCHO, 18(2), 1999, pp. 153-163
47. De Cremer, D
    Social justice in a diverse society.
    POLITICAL PSYCHOLOGY
    
    D. De Cremer, "Social justice in a diverse society.", POLIT PSYCH, 20(4), 1999, pp. 903-905
48. De Cremer, D; Van Vugt, M
    Social identification effects in social dilemmas: a transformation of motives
    EUROPEAN JOURNAL OF SOCIAL PSYCHOLOGY
    
    D. De Cremer e M. Van Vugt, "Social identification effects in social dilemmas: a transformation of motives", EUR J SOC P, 29(7), 1999, pp. 871-893
49. De Cremer, D; Vanbeselaere, N
    I am deviant, because ...: The impact of situational factors upon the black sheep effect
    PSYCHOLOGICA BELGICA
    
    D. De Cremer e N. Vanbeselaere, "I am deviant, because ...: The impact of situational factors upon the black sheep effect", PSYCHOL BEL, 39(1), 1999, pp. 71-79
50. De Cremer, D; van Vugt, M; Sharp, J
    Effect of collective self-esteem on ingroup evaluations
    JOURNAL OF SOCIAL PSYCHOLOGY
    
    D. De Cremer et al., "Effect of collective self-esteem on ingroup evaluations", J SOC PSYCH, 139(4), 1999, pp. 530-532
51. Van Vugt, M; De Cremer, D
    Leadership in social dilemmas: The effects of group identification on collective actions to provide public goods
    JOURNAL OF PERSONALITY AND SOCIAL PSYCHOLOGY
    
    M. Van Vugt e D. De Cremer, "Leadership in social dilemmas: The effects of group identification on collective actions to provide public goods", J PERS SOC, 76(4), 1999, pp. 587-599
52. Larsson, JA; Cremer, D
    Theoretical verification and extension of the McKean relationship between bond lengths and stretching frequencies
    JOURNAL OF MOLECULAR STRUCTURE
    
    J.A. Larsson e D. Cremer, "Theoretical verification and extension of the McKean relationship between bond lengths and stretching frequencies", J MOL STRUC, 486, 1999, pp. 385-407
53. Ottosson, CH; Kraka, E; Cremer, D
    Theory as a viable partner for experiment - The quest for trivalent silylium ions in solution
    PAULING'S LEGACY: MODERN MODELLING OF THE CHEMICAL BOND
    
    C.H. Ottosson et al., "Theory as a viable partner for experiment - The quest for trivalent silylium ions in solution", TH COMP CHE, 6, 1999, pp. 231-301
54. MARQUARDT R; BALSTER A; SANDER W; KRAKA E; CREMER D; RADZISZEWSKI JG
    P-BENZYNE
    ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
    
    R. Marquardt et al., "P-BENZYNE", ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, 37(7), 1998, pp. 955-958
55. SCHNEIDER T; DRESCHER W; BECKER C; CREMER D; WEILE C; HEYDTHAUSEN M; RUTHER W; HANSEN ES; BUNGER C
    THE ABILITY OF REPERFUSION OFF THE EPIPHY SIS OF THE FEMORAL-HEAD AFTER ISCHEMIA - AN EXPERIMENTAL-STUDY
    Zeitschrift fur Orthopadie und Ihre Grenzgebiete
    
    T. Schneider et al., "THE ABILITY OF REPERFUSION OFF THE EPIPHY SIS OF THE FEMORAL-HEAD AFTER ISCHEMIA - AN EXPERIMENTAL-STUDY", Zeitschrift fur Orthopadie und Ihre Grenzgebiete, 136(2), 1998, pp. 132-137
56. KONKOLI Z; CREMER D
    A NEW WAY OF ANALYZING VIBRATIONAL-SPECTRA - I - DERIVATION OF ADIABATIC INTERNAL-MODES
    International journal of quantum chemistry
    
    Z. Konkoli e D. Cremer, "A NEW WAY OF ANALYZING VIBRATIONAL-SPECTRA - I - DERIVATION OF ADIABATIC INTERNAL-MODES", International journal of quantum chemistry, 67(1), 1998, pp. 1-9
57. KONKOLI Z; LARSSON JA; CREMER D
    A NEW WAY OF ANALYZING VIBRATIONAL-SPECTRA - II - COMPARISON OF INTERNAL-MODE FREQUENCIES
    International journal of quantum chemistry
    
    Z. Konkoli et al., "A NEW WAY OF ANALYZING VIBRATIONAL-SPECTRA - II - COMPARISON OF INTERNAL-MODE FREQUENCIES", International journal of quantum chemistry, 67(1), 1998, pp. 11-27
58. KONKOLI Z; CREMER D
    A NEW WAY OF ANALYZING VIBRATIONAL-SPECTRA - III - CHARACTERIZATION OF NORMAL VIBRATIONAL-MODES IN TERMS OF INTERNAL VIBRATIONAL-MODES
    International journal of quantum chemistry
    
    Z. Konkoli e D. Cremer, "A NEW WAY OF ANALYZING VIBRATIONAL-SPECTRA - III - CHARACTERIZATION OF NORMAL VIBRATIONAL-MODES IN TERMS OF INTERNAL VIBRATIONAL-MODES", International journal of quantum chemistry, 67(1), 1998, pp. 29-40
59. KONKOLI Z; LARSSON JA; CREMER D
    A NEW WAY OF ANALYZING VIBRATIONAL-SPECTRA - IV - APPLICATION AND TESTING OF ADIABATIC MODES WITHIN THE CONCEPT OF THE CHARACTERIZATION OF NORMAL-MODES
    International journal of quantum chemistry
    
    Z. Konkoli et al., "A NEW WAY OF ANALYZING VIBRATIONAL-SPECTRA - IV - APPLICATION AND TESTING OF ADIABATIC MODES WITHIN THE CONCEPT OF THE CHARACTERIZATION OF NORMAL-MODES", International journal of quantum chemistry, 67(1), 1998, pp. 41-55
60. CREMER D; KRAKA E; SZALAY PG
    DECOMPOSITION MODES OF DIOXIRANE, METHYLDIOXIRANE AND DIMETHYLDIOXIRANE - A CCSD(T), MR-AQCC AND DFT INVESTIGATION
    Chemical physics letters
    
    D. Cremer et al., "DECOMPOSITION MODES OF DIOXIRANE, METHYLDIOXIRANE AND DIMETHYLDIOXIRANE - A CCSD(T), MR-AQCC AND DFT INVESTIGATION", Chemical physics letters, 292(1-2), 1998, pp. 97-109
61. GRAFENSTEIN J; KRAKA E; CREMER D
    DENSITY-FUNCTIONAL THEORY FOR OPEN-SHELL SINGLET BIRADICALS
    Chemical physics letters
    
    J. Grafenstein et al., "DENSITY-FUNCTIONAL THEORY FOR OPEN-SHELL SINGLET BIRADICALS", Chemical physics letters, 288(5-6), 1998, pp. 593-602
62. RIBBENS C; KAISER MJ; KAYE O; CREMER D; ANDRE B; JASPAR JM; LOUIS E; DEGROOTE D; MALAISE MG
    HIGH SERUM MMP3 LEVELS ARE OBSERVED IN RHEUMATOID-ARTHRITIS AND OTHERRHEUMATIC DISEASES
    Arthritis and rheumatism
    
    C. Ribbens et al., "HIGH SERUM MMP3 LEVELS ARE OBSERVED IN RHEUMATOID-ARTHRITIS AND OTHERRHEUMATIC DISEASES", Arthritis and rheumatism, 41(9), 1998, pp. 790-790
63. SANDER W; WANDEL H; BUCHER G; GRAFENSTEIN J; KRAKA E; CREMER D
    ALPHA,3-DIDEHYDRO-5-METHYL-6-HYDROXYTOLUENE - MATRIX-ISOLATION OF A DIRADICAL RELATED TO THE NEOCARZINOSTATIN CHROMOPHORE
    Journal of the American Chemical Society
    
    W. Sander et al., "ALPHA,3-DIDEHYDRO-5-METHYL-6-HYDROXYTOLUENE - MATRIX-ISOLATION OF A DIRADICAL RELATED TO THE NEOCARZINOSTATIN CHROMOPHORE", Journal of the American Chemical Society, 120(33), 1998, pp. 8480-8485
64. KONKOLI Z; HE Z; CREMER D
    ON THE ROLE OF SINGLE EXCITATIONS IN QUASI-DEGENERATE PERTURBATION-THEORY
    Theoretical chemistry accounts
    
    Z. Konkoli et al., "ON THE ROLE OF SINGLE EXCITATIONS IN QUASI-DEGENERATE PERTURBATION-THEORY", Theoretical chemistry accounts, 96(2), 1997, pp. 71-74
65. KONKOLI Z; KRAKA E; CREMER D
    UNIFIED REACTION VALLEY APPROACH MECHANISM OF THE REACTION CH3-2-]CH4+H(H)
    The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory
    
    Z. Konkoli et al., "UNIFIED REACTION VALLEY APPROACH MECHANISM OF THE REACTION CH3-2-]CH4+H(H)", The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 101(9), 1997, pp. 1742-1757
66. OLZMANN M; KRAKA E; CREMER D; GUTBROD R; ANDERSSON S
    ENERGETICS, KINETICS, AND PRODUCT DISTRIBUTIONS OF THE REACTIONS OF OZONE WITH ETHENE AND 2,3-DIMETHYL-2-BUTENE
    The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory
    
    M. Olzmann et al., "ENERGETICS, KINETICS, AND PRODUCT DISTRIBUTIONS OF THE REACTIONS OF OZONE WITH ETHENE AND 2,3-DIMETHYL-2-BUTENE", The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 101(49), 1997, pp. 9421-9429
67. LANDIN J; PASCHER I; CREMER D
    EFFECT OF A POLAR ENVIRONMENT ON THE CONFORMATION OF PHOSPHOLIPID HEAD GROUPS ANALYZED WITH THE ONSAGER CONTINUUM SOLVATION MODEL
    The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory
    
    J. Landin et al., "EFFECT OF A POLAR ENVIRONMENT ON THE CONFORMATION OF PHOSPHOLIPID HEAD GROUPS ANALYZED WITH THE ONSAGER CONTINUUM SOLVATION MODEL", The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 101(16), 1997, pp. 2996-3004
68. OTTOSSON CH; SZABO KJ; CREMER D
    THE TRIS(9-BORABICYCLO[3.3.1]NONYL)SILYLIUM CATION - A SUGGESTION FORA WEAKLY COORDINATED SILYLIUM CATION IN SOLUTION
    Organometallics
    
    C.H. Ottosson et al., "THE TRIS(9-BORABICYCLO[3.3.1]NONYL)SILYLIUM CATION - A SUGGESTION FORA WEAKLY COORDINATED SILYLIUM CATION IN SOLUTION", Organometallics, 16(11), 1997, pp. 2377-2385
69. KONKOLI Z; CREMER D; KRAKA E
    DIABATIC ORDERING OF VIBRATIONAL NORMAL-MODES IN REACTION VALLEY STUDIES
    Journal of computational chemistry
    
    Z. Konkoli et al., "DIABATIC ORDERING OF VIBRATIONAL NORMAL-MODES IN REACTION VALLEY STUDIES", Journal of computational chemistry, 18(10), 1997, pp. 1282-1294
70. CREMER D; HE Z
    PREDICTION OF FULL CI ENERGIES WITH THE HELP OF 6TH-ORDER MOLLER-PLESSET (MP6) PERTURBATION-THEORY
    Journal of molecular structure. Theochem
    
    D. Cremer e Z. He, "PREDICTION OF FULL CI ENERGIES WITH THE HELP OF 6TH-ORDER MOLLER-PLESSET (MP6) PERTURBATION-THEORY", Journal of molecular structure. Theochem, 398, 1997, pp. 7-26
71. KRAKA E; SOSA CP; GRAFENSTEIN J; CREMER D
    TRIMESITYLSILYLIUM CATION VERIFICATION OF A FREE SILYLIUM CATION IN SOLUTION BY NMR CHEMICAL-SHIFT CALCULATIONS
    Chemical physics letters
    
    E. Kraka et al., "TRIMESITYLSILYLIUM CATION VERIFICATION OF A FREE SILYLIUM CATION IN SOLUTION BY NMR CHEMICAL-SHIFT CALCULATIONS", Chemical physics letters, 279(1-2), 1997, pp. 9-16
72. KRAKA E; CREMER D; BUCHER G; WANDEL H; SANDER W
    A CCSD(T) AND DFT INVESTIGATION OF M-BENZYNE AND 4-HYDROXY-M-BENZYNE
    Chemical physics letters
    
    E. Kraka et al., "A CCSD(T) AND DFT INVESTIGATION OF M-BENZYNE AND 4-HYDROXY-M-BENZYNE", Chemical physics letters, 268(5-6), 1997, pp. 313-320
73. SANDER W; BUCHER G; WANDEL H; KRAKA E; CREMER D; SHELDRICK WS
    PHOTOCHEMISTRY OF P-BENZOQUINONE DIAZIDE CARBOXYLIC-ACIDS - FORMATIONOF 2,4-DIDEHYDROPHENOLS
    Journal of the American Chemical Society
    
    W. Sander et al., "PHOTOCHEMISTRY OF P-BENZOQUINONE DIAZIDE CARBOXYLIC-ACIDS - FORMATIONOF 2,4-DIDEHYDROPHENOLS", Journal of the American Chemical Society, 119(44), 1997, pp. 10660-10672
74. SANDER W; SCHROEDER K; MUTHUSAMY S; KIRSCHFELD A; KAPPERT W; BOESE R; KRAKA E; SOSA C; CREMER D
    DIMESITYLDIOXIRANE
    Journal of the American Chemical Society
    
    W. Sander et al., "DIMESITYLDIOXIRANE", Journal of the American Chemical Society, 119(31), 1997, pp. 7265-7270
75. GUTBROD R; KRAKA E; SCHINDLER RN; CREMER D
    KINETIC AND THEORETICAL INVESTIGATION OF THE GAS-PHASE OZONOLYSIS OF ISOPRENE - CARBONYL OXIDES AS AN IMPORTANT SOURCE FOR OH RADICALS IN THE ATMOSPHERE
    Journal of the American Chemical Society
    
    R. Gutbrod et al., "KINETIC AND THEORETICAL INVESTIGATION OF THE GAS-PHASE OZONOLYSIS OF ISOPRENE - CARBONYL OXIDES AS AN IMPORTANT SOURCE FOR OH RADICALS IN THE ATMOSPHERE", Journal of the American Chemical Society, 119(31), 1997, pp. 7330-7342
76. ALBERS R; SANDER W; OTTOSSON CH; CREMER D
    4,4-DIMETHYLBICYCLO[3,1,0]HEXA-1(6),2-DIENE - A HIGHLY STRAINED 1,3-BRIDGED CYCLOPROPENE
    Chemistry
    
    R. Albers et al., "4,4-DIMETHYLBICYCLO[3,1,0]HEXA-1(6),2-DIENE - A HIGHLY STRAINED 1,3-BRIDGED CYCLOPROPENE", Chemistry, 2(8), 1996, pp. 967-973
77. OTTOSSON CH; CREMER D
    NATURE OF THE SI(SIME(3))(3)(+) CATION IN AROMATIC SOLVENTS
    Organometallics
    
    C.H. Ottosson e D. Cremer, "NATURE OF THE SI(SIME(3))(3)(+) CATION IN AROMATIC SOLVENTS", Organometallics, 15(26), 1996, pp. 5495-5501
78. OTTOSSON CH; CREMER D
    INTRAMOLECULARLY STABILIZED PHENYLSILYL AND ANTHRYLSILYL CATIONS
    Organometallics
    
    C.H. Ottosson e D. Cremer, "INTRAMOLECULARLY STABILIZED PHENYLSILYL AND ANTHRYLSILYL CATIONS", Organometallics, 15(25), 1996, pp. 5309-5320
79. KIM SJ; SCHAEFER HF; KRAKA E; CREMER D
    DIOXIRANE VIBRATIONAL FREQUENCIES - AN UNSETTLING RELATIONSHIP BETWEEN THEORY AND EXPERIMENT
    Molecular physics
    
    S.J. Kim et al., "DIOXIRANE VIBRATIONAL FREQUENCIES - AN UNSETTLING RELATIONSHIP BETWEEN THEORY AND EXPERIMENT", Molecular physics, 88(1), 1996, pp. 93-104
80. OLSSON L; CREMER D
    PREDICTION OF NITROGEN AND OXYGEN NMR CHEMICAL-SHIFTS IN ORGANIC-COMPOUNDS BY DENSITY-FUNCTIONAL THEORY
    Journal of physical chemistry
    
    L. Olsson e D. Cremer, "PREDICTION OF NITROGEN AND OXYGEN NMR CHEMICAL-SHIFTS IN ORGANIC-COMPOUNDS BY DENSITY-FUNCTIONAL THEORY", Journal of physical chemistry, 100(42), 1996, pp. 16881-16891
81. SPOEREL U; DREIZLER H; STAHL W; KRAKA E; CREMER D
    INTERMOLECULAR FORCES IN VAN-DER-WAALS COMPLEXES BETWEEN ARGON AND AROMATIC-MOLECULES - ROTATIONAL SPECTRUM AND AB-INITIO INVESTIGATION OF ISOXAZOLE-ARGON
    Journal of physical chemistry
    
    U. Spoerel et al., "INTERMOLECULAR FORCES IN VAN-DER-WAALS COMPLEXES BETWEEN ARGON AND AROMATIC-MOLECULES - ROTATIONAL SPECTRUM AND AB-INITIO INVESTIGATION OF ISOXAZOLE-ARGON", Journal of physical chemistry, 100(34), 1996, pp. 14298-14309
82. CREMER D; HE Z
    6TH-ORDER MOLLER-PLESSET PERTURBATION-THEORY - ON THE CONVERGENCE OF THE MPN SERIES
    Journal of physical chemistry
    
    D. Cremer e Z. He, "6TH-ORDER MOLLER-PLESSET PERTURBATION-THEORY - ON THE CONVERGENCE OF THE MPN SERIES", Journal of physical chemistry, 100(15), 1996, pp. 6173-6188
83. SZABO KJ; KRAKA E; CREMER D
    TRISHOMOCYCLOPROPENYLIUM CATIONS - STRUCTURE, STABILITY, MAGNETIC-PROPERTIES, AND REARRANGEMENT POSSIBILITIES
    Journal of organic chemistry
    
    K.J. Szabo et al., "TRISHOMOCYCLOPROPENYLIUM CATIONS - STRUCTURE, STABILITY, MAGNETIC-PROPERTIES, AND REARRANGEMENT POSSIBILITIES", Journal of organic chemistry, 61(8), 1996, pp. 2783-2800
84. OLSSON L; CREMER D
    SUM-OVER-STATES DENSITY-FUNCTIONAL PERTURBATION-THEORY - PREDICTION OF RELIABLE C-13, N-15, AND O-17 NUCLEAR-MAGNETIC-RESONANCE CHEMICAL-SHIFTS
    The Journal of chemical physics
    
    L. Olsson e D. Cremer, "SUM-OVER-STATES DENSITY-FUNCTIONAL PERTURBATION-THEORY - PREDICTION OF RELIABLE C-13, N-15, AND O-17 NUCLEAR-MAGNETIC-RESONANCE CHEMICAL-SHIFTS", The Journal of chemical physics, 105(20), 1996, pp. 8995-9006
85. HE Z; CREMER D
    6TH-ORDER MANY-BODY PERTURBATION-THEORY .1. BASIC THEORY AND DERIVATION OF THE ENERGY FORMULA
    International journal of quantum chemistry
    
    Z. He e D. Cremer, "6TH-ORDER MANY-BODY PERTURBATION-THEORY .1. BASIC THEORY AND DERIVATION OF THE ENERGY FORMULA", International journal of quantum chemistry, 59(1), 1996, pp. 15-29
86. HE Z; CREMER D
    6TH-ORDER MANY-BODY PERTURBATION-THEORY .2. IMPLEMENTATION AND APPLICATION
    International journal of quantum chemistry
    
    Z. He e D. Cremer, "6TH-ORDER MANY-BODY PERTURBATION-THEORY .2. IMPLEMENTATION AND APPLICATION", International journal of quantum chemistry, 59(1), 1996, pp. 31-55
87. HE Z; CREMER D
    6TH-ORDER MANY-BODY PERTURBATION-THEORY .3. CORRELATION ENERGIES OF SIZE-EXTENSIVE MP6 METHODS
    International journal of quantum chemistry
    
    Z. He e D. Cremer, "6TH-ORDER MANY-BODY PERTURBATION-THEORY .3. CORRELATION ENERGIES OF SIZE-EXTENSIVE MP6 METHODS", International journal of quantum chemistry, 59(1), 1996, pp. 57-69
88. HE Z; CREMER D
    6TH-ORDER MANY-BODY PERTURBATION-THEORY .4. IMPROVEMENT OF THE MOLLER-PLESSET CORRELATION-ENERGY SERIES BY USING PADE, FEENBERG, AND OTHER APPROXIMATIONS UP TO 6TH ORDER
    International journal of quantum chemistry
    
    Z. He e D. Cremer, "6TH-ORDER MANY-BODY PERTURBATION-THEORY .4. IMPROVEMENT OF THE MOLLER-PLESSET CORRELATION-ENERGY SERIES BY USING PADE, FEENBERG, AND OTHER APPROXIMATIONS UP TO 6TH ORDER", International journal of quantum chemistry, 59(1), 1996, pp. 71-95
89. HE Z; KRAKA E; CREMER D
    APPLICATION OF QUADRATIC-CI WITH SINGLES, DOUBLES, AND TRIPLES (QCISDT) - AN ATTRACTIVE ALTERNATIVE TO CCSDT
    International journal of quantum chemistry
    
    Z. He et al., "APPLICATION OF QUADRATIC-CI WITH SINGLES, DOUBLES, AND TRIPLES (QCISDT) - AN ATTRACTIVE ALTERNATIVE TO CCSDT", International journal of quantum chemistry, 57(2), 1996, pp. 157-172
90. KRAKA E; SOSA CP; CREMER D
    DIMESITYLKETONE O-OXIDE - VERIFICATION OF AN UNUSUALLY STABLE CARBONYL OXIDE BY NMR CHEMICAL-SHIFT CALCULATIONS
    Chemical physics letters
    
    E. Kraka et al., "DIMESITYLKETONE O-OXIDE - VERIFICATION OF AN UNUSUALLY STABLE CARBONYL OXIDE BY NMR CHEMICAL-SHIFT CALCULATIONS", Chemical physics letters, 260(1-2), 1996, pp. 43-50
91. GUTBROD R; SCHINDLER RN; KRAKA E; CREMER D
    FORMATION OF OH RADICALS IN THE GAS-PHASE OZONOLYSIS OF ALKENES, THE UNEXPECTED ROLE OF CARBONYL OXIDES
    Chemical physics letters
    
    R. Gutbrod et al., "FORMATION OF OH RADICALS IN THE GAS-PHASE OZONOLYSIS OF ALKENES, THE UNEXPECTED ROLE OF CARBONYL OXIDES", Chemical physics letters, 252(3-4), 1996, pp. 221-229
92. KRAKA E; KONKOLI Z; CREMER D; FOWLER J; SCHAEFER HF
    DIFLUORODIOXIRANE - AN UNUSUAL CYCLIC PEROXIDE
    Journal of the American Chemical Society
    
    E. Kraka et al., "DIFLUORODIOXIRANE - AN UNUSUAL CYCLIC PEROXIDE", Journal of the American Chemical Society, 118(43), 1996, pp. 10595-10608
93. ARSHADI M; JOHNELS D; EDLUND U; OTTOSSON CH; CREMER D
    SOLVATED SILYLIUM CATIONS - STRUCTURE DETERMINATION BY NMR-SPECTROSCOPY AND THE NMR AB INITIO/IGLO METHOD/
    Journal of the American Chemical Society
    
    M. Arshadi et al., "SOLVATED SILYLIUM CATIONS - STRUCTURE DETERMINATION BY NMR-SPECTROSCOPY AND THE NMR AB INITIO/IGLO METHOD/", Journal of the American Chemical Society, 118(21), 1996, pp. 5120-5131
94. TROMMER M; SANDER W; OTTOSSON CH; CREMER D
    REACTION OF 1,1-DIMETHYLSILENE WITH FORMALDEHYDE
    Angewandte Chemie, International Edition in English
    
    M. Trommer et al., "REACTION OF 1,1-DIMETHYLSILENE WITH FORMALDEHYDE", Angewandte Chemie, International Edition in English, 34(8), 1995, pp. 929-931
95. KRAKA E; CREMER D; SPOEREL U; MERKE I; STAHL W; DREIZLER H
    INTERMOLECULAR FORCES IN ARGON VAN-DER-WAALS COMPLEXES - ROTATIONAL SPECTRUM AND AB-INITIO INVESTIGATION OF AR-OXAZOLE
    Journal of physical chemistry
    
    E. Kraka et al., "INTERMOLECULAR FORCES IN ARGON VAN-DER-WAALS COMPLEXES - ROTATIONAL SPECTRUM AND AB-INITIO INVESTIGATION OF AR-OXAZOLE", Journal of physical chemistry, 99(33), 1995, pp. 12466-12477
96. LANDIN J; PASCHER I; CREMER D
    AB-INITIO AND SEMIEMPIRICAL CONFORMATION POTENTIALS FOR PHOSPHOLIPID HEAD GROUPS
    Journal of physical chemistry
    
    J. Landin et al., "AB-INITIO AND SEMIEMPIRICAL CONFORMATION POTENTIALS FOR PHOSPHOLIPID HEAD GROUPS", Journal of physical chemistry, 99(13), 1995, pp. 4471-4485
97. SZABO KJ; CREMER D
    ROUTE TO A KINETICALLY STABILIZED PROTONATED SPIROCYCLOPENTANE WITH APENTACOORDINATED CARBON-ATOM - THE MISSING LINK BETWEEN BICYCLO[3.2.0]HEPT-3-YL AND 7-NORBORNYL CATION
    Journal of organic chemistry
    
    K.J. Szabo e D. Cremer, "ROUTE TO A KINETICALLY STABILIZED PROTONATED SPIROCYCLOPENTANE WITH APENTACOORDINATED CARBON-ATOM - THE MISSING LINK BETWEEN BICYCLO[3.2.0]HEPT-3-YL AND 7-NORBORNYL CATION", Journal of organic chemistry, 60(7), 1995, pp. 2257-2259
98. OLSSON L; OTTOSSON CH; CREMER D
    PROPERTIES OF R(3)SIX COMPOUNDS AND R(3)SI(- DO SILYLIUM IONS EXIST IN SOLUTION() IONS )
    Journal of the American Chemical Society
    
    L. Olsson et al., "PROPERTIES OF R(3)SIX COMPOUNDS AND R(3)SI(- DO SILYLIUM IONS EXIST IN SOLUTION() IONS )", Journal of the American Chemical Society, 117(28), 1995, pp. 7460-7479
99. CREMER D; OLSSON L; OTTOSSON H
    CALCULATION OF SI-29 CHEMICAL-SHIFTS AS A PROBE FOR MOLECULAR AND ELECTRONIC-STRUCTURE
    Journal of molecular structure. Theochem
    
    D. Cremer et al., "CALCULATION OF SI-29 CHEMICAL-SHIFTS AS A PROBE FOR MOLECULAR AND ELECTRONIC-STRUCTURE", Journal of molecular structure. Theochem, 119(1), 1994, pp. 91-109
100. CREMER D; HE Z
     ANALYSIS OF COUPLED-CLUSTER METHODS .4. SIZE-EXTENSIVE QUADRATIC CI METHODS QUADRATIC CI WITH TRIPLE AND QUADRUPLE EXCITATIONS
     Theoretica Chimica Acta
     
     D. Cremer e Z. He, "ANALYSIS OF COUPLED-CLUSTER METHODS .4. SIZE-EXTENSIVE QUADRATIC CI METHODS QUADRATIC CI WITH TRIPLE AND QUADRUPLE EXCITATIONS", Theoretica Chimica Acta, 88(1), 1994, pp. 47-67