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Results: 26-50/63
Authors:
KIM SJ
SCHAEFER HF
KRAKA E
CREMER D
Citation: Sj. Kim et al., DIOXIRANE VIBRATIONAL FREQUENCIES - AN UNSETTLING RELATIONSHIP BETWEEN THEORY AND EXPERIMENT, Molecular physics, 88(1), 1996, pp. 93-104
Authors:
OLSSON L
CREMER D
Citation: L. Olsson et 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
Authors:
SPOEREL U
DREIZLER H
STAHL W
KRAKA E
CREMER D
Citation: 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
Authors:
CREMER D
HE Z
Citation: D. Cremer et 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
Authors:
SZABO KJ
KRAKA E
CREMER D
Citation: Kj. Szabo et al., TRISHOMOCYCLOPROPENYLIUM CATIONS - STRUCTURE, STABILITY, MAGNETIC-PROPERTIES, AND REARRANGEMENT POSSIBILITIES, Journal of organic chemistry, 61(8), 1996, pp. 2783-2800
Authors:
OLSSON L
CREMER D
Citation: L. Olsson et 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
Authors:
HE Z
CREMER D
Citation: Z. He et 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
Authors:
HE Z
CREMER D
Citation: Z. He et D. Cremer, 6TH-ORDER MANY-BODY PERTURBATION-THEORY .2. IMPLEMENTATION AND APPLICATION, International journal of quantum chemistry, 59(1), 1996, pp. 31-55
Authors:
HE Z
CREMER D
Citation: Z. He et 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
Authors:
HE Z
CREMER D
Citation: Z. He et 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
Authors:
HE Z
KRAKA E
CREMER D
Citation: 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
Authors:
KRAKA E
SOSA CP
CREMER D
Citation: 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
Authors:
GUTBROD R
SCHINDLER RN
KRAKA E
CREMER D
Citation: 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
Authors:
KRAKA E
KONKOLI Z
CREMER D
FOWLER J
SCHAEFER HF
Citation: E. Kraka et al., DIFLUORODIOXIRANE - AN UNUSUAL CYCLIC PEROXIDE, Journal of the American Chemical Society, 118(43), 1996, pp. 10595-10608
Authors:
ARSHADI M
JOHNELS D
EDLUND U
OTTOSSON CH
CREMER D
Citation: 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
Authors:
TROMMER M
SANDER W
OTTOSSON CH
CREMER D
Citation: M. Trommer et al., REACTION OF 1,1-DIMETHYLSILENE WITH FORMALDEHYDE, Angewandte Chemie, International Edition in English, 34(8), 1995, pp. 929-931
Authors:
KRAKA E
CREMER D
SPOEREL U
MERKE I
STAHL W
DREIZLER H
Citation: 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
Authors:
LANDIN J
PASCHER I
CREMER D
Citation: J. Landin et al., AB-INITIO AND SEMIEMPIRICAL CONFORMATION POTENTIALS FOR PHOSPHOLIPID HEAD GROUPS, Journal of physical chemistry, 99(13), 1995, pp. 4471-4485
Authors:
SZABO KJ
CREMER D
Citation: Kj. Szabo et 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
Authors:
OLSSON L
OTTOSSON CH
CREMER D
Citation: 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
Authors:
CREMER D
OLSSON L
OTTOSSON H
Citation: 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
Authors:
CREMER D
HE Z
Citation: D. Cremer et 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
Authors:
HANS R
CREMER D
Citation: R. Hans et D. Cremer, PVD COATINGS - SERVICE LIFE ADJUSTER, Metall, 48(3), 1994, pp. 198-201
Authors:
MAIER G
BORN D
BAUER I
WOLF R
BOESE R
CREMER D
Citation: G. Maier et al., SMALL RINGS .78. TRI-TERT-BUTYL(TRIMETHYL SILYL)CYCLOBUTADIENE AND TRI-TERT-BUTYL(TRIMETHYLSILYL)TETRAHEDRANE, Chemische Berichte, 127(1), 1994, pp. 173-189
Authors:
WIERLACHER S
SANDER W
MARQUARDT C
KRAKA E
CREMER D
Citation: S. Wierlacher et al., PROPINAL O-OXIDE, Chemical physics letters, 222(4), 1994, pp. 319-324