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Results: 1-25/33
Authors:
MARQUARDT R
BALSTER A
SANDER W
KRAKA E
CREMER D
RADZISZEWSKI JG
Citation: R. Marquardt et al., P-BENZYNE, ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, 37(7), 1998, pp. 955-958
Authors:
CREMER D
KRAKA E
SZALAY PG
Citation: 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
Authors:
GRAFENSTEIN J
KRAKA E
CREMER D
Citation: J. Grafenstein et al., DENSITY-FUNCTIONAL THEORY FOR OPEN-SHELL SINGLET BIRADICALS, Chemical physics letters, 288(5-6), 1998, pp. 593-602
Authors:
SANDER W
WANDEL H
BUCHER G
GRAFENSTEIN J
KRAKA E
CREMER D
Citation: 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
Authors:
KONKOLI Z
KRAKA E
CREMER D
Citation: 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
Authors:
OLZMANN M
KRAKA E
CREMER D
GUTBROD R
ANDERSSON S
Citation: 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
Authors:
KONKOLI Z
CREMER D
KRAKA E
Citation: Z. Konkoli et al., DIABATIC ORDERING OF VIBRATIONAL NORMAL-MODES IN REACTION VALLEY STUDIES, Journal of computational chemistry, 18(10), 1997, pp. 1282-1294
Authors:
KRAKA E
SOSA CP
GRAFENSTEIN J
CREMER D
Citation: 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
Authors:
KRAKA E
CREMER D
BUCHER G
WANDEL H
SANDER W
Citation: 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
Authors:
SANDER W
BUCHER G
WANDEL H
KRAKA E
CREMER D
SHELDRICK WS
Citation: 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
Authors:
SANDER W
SCHROEDER K
MUTHUSAMY S
KIRSCHFELD A
KAPPERT W
BOESE R
KRAKA E
SOSA C
CREMER D
Citation: W. Sander et al., DIMESITYLDIOXIRANE, Journal of the American Chemical Society, 119(31), 1997, pp. 7265-7270
Authors:
GUTBROD R
KRAKA E
SCHINDLER RN
CREMER D
Citation: 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
Authors:
MARQUARDT R
SANDER W
KRAKA E
Citation: R. Marquardt et al., 1,3-DIDEHYDROBENZENE (M-BENZYNE), Angewandte Chemie, International Edition in English, 35(7), 1996, pp. 746-748
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:
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:
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:
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:
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:
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
Authors:
KRAKA E
CREMER D
Citation: E. Kraka et D. Cremer, ORTHO-BENZYNE, META-BENZYNE, AND PARA-BENZYNE - A COMPARATIVE CCSD(T)INVESTIGATION (VOL 216, PG 333, 1993), Chemical physics letters, 219(1-2), 1994, pp. 160-160
Authors:
SCHLEYER PV
JIAO HJ
GLUKHOVTSEV MN
CHANDRASEKHAR J
KRAKA E
Citation: Pv. Schleyer et al., DOUBLE AROMATICITY IN THE 3,5-DEHYDROPHENYL CATION AND IN CYCLO[6]CARBON, Journal of the American Chemical Society, 116(22), 1994, pp. 10129-10134
Authors:
KRAKA E
CREMER D
Citation: E. Kraka et D. Cremer, CCSD(T) INVESTIGATION OF THE BERGMAN CYCLIZATION OF ENEDIYNE - RELATIVE STABILITY OF O-DIDEHYDROBENZENE, M-DIDEHYDROBENZENE, AND P-DIDEHYDROBENZENE, Journal of the American Chemical Society, 116(11), 1994, pp. 4929-4936