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Results: 1-25/37
Authors:
SCHRODER D
SCHWARZ H
HRUSAK J
PYYKKO P
Citation: D. Schroder et al., CATIONIC GOLD(I) COMPLEXES OF XENON AND OF LIGANDS CONTAINING THE DONOR ATOMS OXYGEN, NITROGEN, PHOSPHORUS, AND SULFUR, Inorganic chemistry, 37(4), 1998, pp. 624-632
Authors:
SZULEJKO JE
HRUSAK J
MCMAHON TB
Citation: Je. Szulejko et al., COMBINED EXPERIMENTAL AND THEORETICAL-STUDY OF THE PROTONATION OF POLYFLUOROBENZENES [C6H6-NFN] (N=0-6), Journal of mass spectrometry., 32(5), 1997, pp. 494-506
Authors:
MCGIBBON GA
HRUSAK J
LAVORATO DJ
SCHWARZ H
TERLOUW JK
Citation: Ga. Mcgibbon et al., THE THIAZOLE YLIDE - A FREQUENTLY INVOKED INTERMEDIATE IS A STABLE SPECIES IN THE GAS-PHASE, Chemistry, 3(2), 1997, pp. 232-236
Authors:
HRUSAK J
Citation: J. Hrusak, RELATIVISTIC EFFECTS IN THE METAL-CARBON BOND - A COMPARATIVE AB-INITIO AND DFT STUDY OF M=CH2-CH3+ (M=CU, AG AND AU)( AND M), South African Journal of Chemistry, 50(2), 1997, pp. 93-101
Authors:
HRUSAK J
ZABKA J
DOLEJSEK Z
HERMAN Z
Citation: J. Hrusak et al., A DFT HF STUDY OF THE POTENTIAL-ENERGY SURFACE OF PROTONATED ETHANE C2H7+/, International journal of mass spectrometry and ion processes, 167, 1997, pp. 675-687
Authors:
HRUSAK J
MCGIBBON GA
SCHWARZ H
TERLOUW JK
Citation: J. Hrusak et al., THE HYDROGEN-BRIDGED RADICAL-CATION ENTER-DOT-CENTER-DOT-CENTER-DOT-O=C-OH-CENTER-DOT- A COMBINED EXPERIMENTAL AND THEORETICAL-STUDY OF ITSSTABILITY AND DISSOCIATION CHEMISTRY( ), International journal of mass spectrometry and ion processes, 160(1-3), 1997, pp. 117-135
Authors:
RAUBENHEIMER HG
OLIVIER PJ
LINDEQUE L
DESMET M
HRUSAK J
KRUGER GJ
Citation: Hg. Raubenheimer et al., OXIDATIVE ADDITION OF MONO AND BIS(CARBENE) COMPLEXES DERIVED FROM IMIDAZOLYL AND THIAZOLYL GOLD(I) COMPOUNDS, Journal of organometallic chemistry, 544(1), 1997, pp. 91-100
Authors:
HRUSAK J
SCHRODER D
IWATA S
Citation: J. Hrusak et al., THE GROUND-STATE ((1)A(1)) AND THE LOWEST TRIPLET-STATE (B-3(1)) OF THE PHENYL CATION C6H5+ REVISITED, The Journal of chemical physics, 106(18), 1997, pp. 7541-7549
Authors:
HRUSAK J
TENNO S
IWATA S
Citation: J. Hrusak et al., QUADRATIC CONFIGURATION-INTERACTION VERSUS COUPLED-CLUSTER THEORY - IMPORTANCE OF ORBITAL RELAXATION PHENOMENA IN CUH AND CUF, The Journal of chemical physics, 106(17), 1997, pp. 7185-7192
Authors:
HRUSAK J
IWATA S
Citation: J. Hrusak et S. Iwata, THE VIBRATIONAL-SPECTRUM OF H2O2-CATION - AN ILLUSTRATION OF SYMMETRY-BREAKING( RADICAL), The Journal of chemical physics, 106(12), 1997, pp. 4877-4888
Authors:
HRUSAK J
SCHRODER D
SCHWARZ H
IWATA S
Citation: J. Hrusak et al., COMPARATIVE AB-INITIO AND HYBRID DFT STUDIES RELEVANT TO AN EXPERIMENTAL INVESTIGATION OF NEUTRAL AND CATIONIC [SI, P, H-2] ISOMERS, Bulletin of the Chemical Society of Japan, 70(4), 1997, pp. 777-787
Authors:
SCHRODER D
SCHALLEY CA
GOLDBERG N
HRUSAK J
SCHWARZ H
Citation: D. Schroder et al., GAS-PHASE EXPERIMENTS AIMED AT PROBING THE EXISTENCE OF THE ELUSIVE WATER OXIDE MOLECULE, Chemistry, 2(10), 1996, pp. 1235-1242
Authors:
HERTWIG RH
KOCH W
SCHRODER D
SCHWARZ H
HRUSAK J
SCHWERDTFEGER P
Citation: Rh. Hertwig et al., A COMPARATIVE COMPUTATIONAL STUDY OF CATIONIC COINAGE METAL-ETHYLENE COMPLEXES (C2H4)M(+) (M=CU, AG, AND AU), Journal of physical chemistry, 100(30), 1996, pp. 12253-12260
Authors:
HRUSAK J
FRIEDRICHS H
SCHWARZ H
RAZAFINJANAHARY H
CHERMETTE H
Citation: J. Hrusak et al., ELECTRON-AFFINITY OF HYDROGEN-PEROXIDE AND THE [H-2,O-2](CENTER-DOT-)POTENTIAL-ENERGY SURFACE - A COMPARATIVE DFT AND AB-INITIO STUDY, Journal of physical chemistry, 100(1), 1996, pp. 100-110
Authors:
SCHWARZ J
SCHRODER D
SCHWARZ H
HEINEMANN C
HRUSAK J
Citation: J. Schwarz et al., THEORY-ENFORCED REINVESTIGATION OF THE ORIGIN OF THE LARGE METAL-CARBON BOND STRENGTH IN PDCH2I-HYDROCARBONS( AND ITS REACTIONS WITH UNSATURATED), Helvetica Chimica Acta, 79(4), 1996, pp. 1110-1120
Authors:
SCHWARZ J
HEINEMANN C
SCHRODER D
SCHWARZ H
HRUSAK J
Citation: J. Schwarz et al., UNPARALLELED, ENORMOUS METAL-CARBON BOND STRENGTH IN PDCH2I, Helvetica Chimica Acta, 79(1), 1996, pp. 1-5
Authors:
SEEMEYER K
HERTWIG RH
HRUSAK J
KOCH W
SCHWARZ H
Citation: K. Seemeyer et al., EXPERIMENTAL AND THEORETICAL-STUDIES OF THE GAS-PHASE REACTIONS OF BARE IRON(I) WITH TETRALIN, Organometallics, 14(9), 1995, pp. 4409-4414
Authors:
HRUSAK J
HERTWIG RH
SCHRODER D
SCHWERDTFEGER P
KOCH W
SCHWARZ H
Citation: J. Hrusak et al., RELATIVISTIC EFFECTS IN CATIONIC GOLD(I) COMPLEXES - A COMPARATIVE-STUDY OF AB-INITIO PSEUDOPOTENTIAL AND DENSITY-FUNCTIONAL METHODS, Organometallics, 14(3), 1995, pp. 1284-1291
Authors:
SCHRODER D
HRUSAK J
HERTWIG RH
KOCH W
SCHWERDTFEGER P
SCHWARZ H
Citation: D. Schroder et al., EXPERIMENTAL AND THEORETICAL-STUDIES OF GOLD(I) COMPLEXES AU(L)(+) (L=H20, CO, CO, NH3, C2H4, C3H6, C4H6, C6H6, C6F6), Organometallics, 14(1), 1995, pp. 312-316
Authors:
STOCKIGT D
HRUSAK J
SCHWARZ H
Citation: D. Stockigt et al., ISOTOPE EFFECTS IN RADIATIVE COOLING - THE AL(C6H6)(+) SYSTEMS, International journal of mass spectrometry and ion processes, 150, 1995, pp. 1-11
Authors:
SCHWERDTFEGER P
MCFEATERS JS
LIDDELL MJ
HRUSAK J
SCHWARZ H
Citation: P. Schwerdtfeger et al., SPECTROSCOPIC PROPERTIES FOR THE GROUND-STATES OF AUF, AUF- A PSEUDOPOTENTIAL SCALAR RELATIVISTIC MOLLER-PLESSET AND COUPLED-CLUSTER STUDY(, AUF2, AND AU2F2 ), The Journal of chemical physics, 103(1), 1995, pp. 245-252
Authors:
HERTWIG RH
HRUSAK J
SCHRODER D
KOCH W
SCHWARZ H
Citation: Rh. Hertwig et al., THE METAL-LIGAND BOND STRENGTHS IN CATIONIC GOLD(I) COMPLEXES - APPLICATION OF APPROXIMATE DENSITY-FUNCTIONAL THEORY, Chemical physics letters, 236(1-2), 1995, pp. 194-200
Authors:
DANOVICH D
HRUSAK J
SHAIK S
Citation: D. Danovich et al., AB-INITIO CALCULATIONS FOR SMALL IODO CLUSTERS - GOOD PERFORMANCE OF RELATIVISTIC EFFECTIVE CORE POTENTIALS, Chemical physics letters, 233(3), 1995, pp. 249-256
Authors:
SCHRODER D
HRUSAK J
TORNIEPORTHOETTING IC
KLAPOTKE TM
SCHWARZ H
Citation: D. Schroder et al., NEUTRAL GOLD(I) FLUORIDE DOES INDEED EXIST, Angewandte Chemie, International Edition in English, 33(2), 1994, pp. 212-214
Authors:
STOCKIGT D
HRUSAK J
Citation: D. Stockigt et J. Hrusak, PREDICTION OF 4 EXPERIMENTALLY DISTINGUISHABLE ISOMERS ON THE POTENTIAL-ENERGY SURFACE OF [AL,C-2,H-2](+), Journal of physical chemistry, 98(14), 1994, pp. 3675-3680