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La ricerca find articoli where authors phrase all words ' CREMER D' sort by level,fasc_key/DESCEND, pagina_ini_num/ASCEND ha restituito 116 riferimenti
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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
    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
    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
    4. De Cremer, D
      Perceptions of group homogeneity as a function of social comparison: The mediating role of group identity

      CURRENT PSYCHOLOGY
    5. Cremer, D; Zimmer, C
      Improved modelling of external networks in operation and operational planning of interconnected power systems

      ELECTRICAL ENGINEERING
    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
    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
    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
    9. Cremer, D
      Density functional theory: coverage of dynamic and non-dynamic electron correlation effects

      MOLECULAR PHYSICS
    10. Grafenstein, J; Cremer, D
      On the diagnostic value of (S)over-cap(2) in Kohn-Sham density functional theory

      MOLECULAR PHYSICS
    11. De Cremer, D
      Relations of self-esteem concerns, group identification, and self-stereotyping to in-group favoritism

      JOURNAL OF SOCIAL PSYCHOLOGY
    12. De Cremer, D
      Effects of roles and performance feedback on the equality rule in resource-sharing tasks

      JOURNAL OF SOCIAL PSYCHOLOGY
    13. Dewitte, S; De Cremer, D
      Self-control and cooperation: Different concepts, similar decisions? A question of the right perspective

      JOURNAL OF PSYCHOLOGY
    14. Cremer, D; Kraka, E; He, Y
      Exact geometries from quantum chemical calculations

      JOURNAL OF MOLECULAR STRUCTURE
    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
    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
    17. Crawford, TD; Kraka, E; Stanton, JF; Cremer, D
      Problematic p-benzyne: Orbital instabilities, biradical character, and broken symmetry

      JOURNAL OF CHEMICAL PHYSICS
    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
    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
    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
    21. Cremer, D; Crehuet, R; Anglada, J
      The ozonolysis of acetylene - A quantum chemical investigation

      JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
    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
    23. Cremer, D; Wu, AN; Larsson, A; Kraka, E
      Some thoughts about bond energies, bond lengths, and force constants

      JOURNAL OF MOLECULAR MODELING
    24. Grafenstein, J; Cremer, D
      Can density functional theory describe multi-reference systems? Investigation of carbenes and organic biradicals

      PHYSICAL CHEMISTRY CHEMICAL PHYSICS
    25. He, Y; Cremer, D
      Analysis of fourth-order Moller-Plesset limit energies: the importance of three-electron correlation effects

      THEORETICAL CHEMISTRY ACCOUNTS
    26. He, Y; Cremer, D
      Spin-projected coupled-cluster theory with single and double excitations

      THEORETICAL CHEMISTRY ACCOUNTS
    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
    28. Gauss, J; Cremer, D; Stanton, JF
      The r(e) structure of cyclopropane

      JOURNAL OF PHYSICAL CHEMISTRY A
    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
    30. Wrobel, R; Sander, W; Cremer, D; Kraka, E
      Photochemistry of butatriene - Spectroscopic evidence for the existence ofallenylcarbene

      JOURNAL OF PHYSICAL CHEMISTRY A
    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
    32. Kraka, E; Cremer, D
      Structure and stability of enediynes containing heteroatoms - a quantum chemical investigation

      JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM
    33. He, Y; Grafenstein, J; Kraka, E; Cremer, D
      What correlation effects are covered by density functional theory?

      MOLECULAR PHYSICS
    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
    35. De Cremer, D
      Effect of group identification on the use of attributions

      JOURNAL OF SOCIAL PSYCHOLOGY
    36. Sychrovsky, V; Grafenstein, J; Cremer, D
      Nuclear magnetic resonance spin-spin coupling constants from coupled perturbed density functional theory

      JOURNAL OF CHEMICAL PHYSICS
    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
    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
    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
    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
    41. Grafenstein, J; Cremer, D
      The combination of density functional theory with multi-configuration methods - CAS-DFT

      CHEMICAL PHYSICS LETTERS
    42. Kraka, E; Cremer, D
      Computer design of anticancer drugs. A new enediyne warhead

      JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
    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
    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
    45. De Cremer, D; Oosterwegel, A
      Collective self-esteem, personal self-esteem, and collective efficacy in in-group and outgroup evaluations

      CURRENT PSYCHOLOGY
    46. De Cremer, D
      Trust and fear of exploitation in a public goods dilemma

      CURRENT PSYCHOLOGY
    47. De Cremer, D
      Social justice in a diverse society.

      POLITICAL PSYCHOLOGY
    48. De Cremer, D; Van Vugt, M
      Social identification effects in social dilemmas: a transformation of motives

      EUROPEAN JOURNAL OF SOCIAL PSYCHOLOGY
    49. De Cremer, D; Vanbeselaere, N
      I am deviant, because ...: The impact of situational factors upon the black sheep effect

      PSYCHOLOGICA BELGICA
    50. De Cremer, D; van Vugt, M; Sharp, J
      Effect of collective self-esteem on ingroup evaluations

      JOURNAL OF SOCIAL PSYCHOLOGY
    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
    52. Larsson, JA; Cremer, D
      Theoretical verification and extension of the McKean relationship between bond lengths and stretching frequencies

      JOURNAL OF MOLECULAR STRUCTURE
    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
    54. MARQUARDT R; BALSTER A; SANDER W; KRAKA E; CREMER D; RADZISZEWSKI JG
      P-BENZYNE

      ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
    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
    56. KONKOLI Z; CREMER D
      A NEW WAY OF ANALYZING VIBRATIONAL-SPECTRA - I - DERIVATION OF ADIABATIC INTERNAL-MODES

      International journal of quantum chemistry
    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
    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
    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
    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
    61. GRAFENSTEIN J; KRAKA E; CREMER D
      DENSITY-FUNCTIONAL THEORY FOR OPEN-SHELL SINGLET BIRADICALS

      Chemical physics letters
    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
    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
    64. KONKOLI Z; HE Z; CREMER D
      ON THE ROLE OF SINGLE EXCITATIONS IN QUASI-DEGENERATE PERTURBATION-THEORY

      Theoretical chemistry accounts
    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
    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
    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
    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
    69. KONKOLI Z; CREMER D; KRAKA E
      DIABATIC ORDERING OF VIBRATIONAL NORMAL-MODES IN REACTION VALLEY STUDIES

      Journal of computational chemistry
    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
    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
    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
    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
    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
    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
    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
    77. OTTOSSON CH; CREMER D
      NATURE OF THE SI(SIME(3))(3)(+) CATION IN AROMATIC SOLVENTS

      Organometallics
    78. OTTOSSON CH; CREMER D
      INTRAMOLECULARLY STABILIZED PHENYLSILYL AND ANTHRYLSILYL CATIONS

      Organometallics
    79. KIM SJ; SCHAEFER HF; KRAKA E; CREMER D
      DIOXIRANE VIBRATIONAL FREQUENCIES - AN UNSETTLING RELATIONSHIP BETWEEN THEORY AND EXPERIMENT

      Molecular physics
    80. OLSSON L; CREMER D
      PREDICTION OF NITROGEN AND OXYGEN NMR CHEMICAL-SHIFTS IN ORGANIC-COMPOUNDS BY DENSITY-FUNCTIONAL THEORY

      Journal of physical chemistry
    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
    82. CREMER D; HE Z
      6TH-ORDER MOLLER-PLESSET PERTURBATION-THEORY - ON THE CONVERGENCE OF THE MPN SERIES

      Journal of physical chemistry
    83. SZABO KJ; KRAKA E; CREMER D
      TRISHOMOCYCLOPROPENYLIUM CATIONS - STRUCTURE, STABILITY, MAGNETIC-PROPERTIES, AND REARRANGEMENT POSSIBILITIES

      Journal of organic chemistry
    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
    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
    86. HE Z; CREMER D
      6TH-ORDER MANY-BODY PERTURBATION-THEORY .2. IMPLEMENTATION AND APPLICATION

      International journal of quantum chemistry
    87. HE Z; CREMER D
      6TH-ORDER MANY-BODY PERTURBATION-THEORY .3. CORRELATION ENERGIES OF SIZE-EXTENSIVE MP6 METHODS

      International journal of quantum chemistry
    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
    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
    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
    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
    92. KRAKA E; KONKOLI Z; CREMER D; FOWLER J; SCHAEFER HF
      DIFLUORODIOXIRANE - AN UNUSUAL CYCLIC PEROXIDE

      Journal of the American Chemical Society
    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
    94. TROMMER M; SANDER W; OTTOSSON CH; CREMER D
      REACTION OF 1,1-DIMETHYLSILENE WITH FORMALDEHYDE

      Angewandte Chemie, International Edition in English
    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
    96. LANDIN J; PASCHER I; CREMER D
      AB-INITIO AND SEMIEMPIRICAL CONFORMATION POTENTIALS FOR PHOSPHOLIPID HEAD GROUPS

      Journal of physical chemistry
    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
    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
    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
    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


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Documento generato il 18/01/21 alle ore 06:26:50