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Results: 1-18 |
Results: 18
MASS-SPECTROMETRIC AND QUANTUM-MECHANICAL ANALYSIS OF GAS-PHASE FORMATION, STRUCTURE, AND DECOMPOSITION OF VARIOUS B(2) IONS AND THEIR SPECIFICALLY DEUTERATED ANALOGS
Authors: ECKART K HOLTHAUSEN MC KOCH W SPIESS J
Citation: K. Eckart et al., MASS-SPECTROMETRIC AND QUANTUM-MECHANICAL ANALYSIS OF GAS-PHASE FORMATION, STRUCTURE, AND DECOMPOSITION OF VARIOUS B(2) IONS AND THEIR SPECIFICALLY DEUTERATED ANALOGS, Journal of the American Society for Mass Spectrometry, 9(10), 1998, pp. 1002-1011
SYNERGY OF THEORY AND EXPERIMENT IN THE REMOTE FUNCTIONALIZATION OF ALIPHATIC NITRILES BY BARE FE(I) AND CO(I) CATIONS IN THE GAS-PHASE
Authors: HOLTHAUSEN MC HORNUNG G SCHRODER D SEN S KOCH W SCHWARZ H
Citation: Mc. Holthausen et al., SYNERGY OF THEORY AND EXPERIMENT IN THE REMOTE FUNCTIONALIZATION OF ALIPHATIC NITRILES BY BARE FE(I) AND CO(I) CATIONS IN THE GAS-PHASE, Organometallics, 16(14), 1997, pp. 3135-3147
HUNTER - A CONFORMATIONAL SEARCH PROGRAM FOR ACYCLIC TO POLYCYCLIC MOLECULES WITH SPECIAL EMPHASIS ON STEREOCHEMISTRY
Authors: WEISER J HOLTHAUSEN MC FITJER L
Citation: J. Weiser et al., HUNTER - A CONFORMATIONAL SEARCH PROGRAM FOR ACYCLIC TO POLYCYCLIC MOLECULES WITH SPECIAL EMPHASIS ON STEREOCHEMISTRY, Journal of computational chemistry, 18(10), 1997, pp. 1264-1281
COMBINED QUANTUM-CHEMICAL AND MASS-SPECTROMETRIC STUDY OF [SI,C,H-3,O](+) ISOMERS
Authors: HOLTHAUSEN MC SCHRODER D ZUMMACK W KOCH W SCHWARZ H
Citation: Mc. Holthausen et al., COMBINED QUANTUM-CHEMICAL AND MASS-SPECTROMETRIC STUDY OF [SI,C,H-3,O](+) ISOMERS, Perkin transactions. 2, (11), 1996, pp. 2389-2399
HOW DOES FE-C AND C-H BONDS IN ETHANE - A THEORETICAL INVESTIGATION USING DENSITY-FUNCTIONAL THEORY( ACTIVATE C)
Authors: HOLTHAUSEN MC FIEDLER A SCHWARZ H KOCH W
Citation: Mc. Holthausen et al., HOW DOES FE-C AND C-H BONDS IN ETHANE - A THEORETICAL INVESTIGATION USING DENSITY-FUNCTIONAL THEORY( ACTIVATE C), Journal of physical chemistry, 100(15), 1996, pp. 6236-6242
MECHANISTIC DETAILS OF THE FE-MEDIATED C-C AND C-H BOND ACTIVATIONS IN PROPANE - A THEORETICAL INVESTIGATION()
Authors: HOLTHAUSEN MC KOCH W
Citation: Mc. Holthausen et W. Koch, MECHANISTIC DETAILS OF THE FE-MEDIATED C-C AND C-H BOND ACTIVATIONS IN PROPANE - A THEORETICAL INVESTIGATION(), Helvetica Chimica Acta, 79(7), 1996, pp. 1939-1956
A THEORETICAL VIEW ON CO-MEDIATED C-C AND C-H BOND ACTIVATIONS IN ETHANE()
Authors: HOLTHAUSEN MC KOCH W
Citation: Mc. Holthausen et W. Koch, A THEORETICAL VIEW ON CO-MEDIATED C-C AND C-H BOND ACTIVATIONS IN ETHANE(), Journal of the American Chemical Society, 118(41), 1996, pp. 9932-9940
MECHANISM OF THE FE-C AND C-H BOND ACTIVATIONS IN ETHANE FROM A THEORETICAL VIEWPOINT( MEDIATED C)
Authors: HOLTHAUSEN MC FIEDLER A SCHWARZ H KOCH W
Citation: Mc. Holthausen et al., MECHANISM OF THE FE-C AND C-H BOND ACTIVATIONS IN ETHANE FROM A THEORETICAL VIEWPOINT( MEDIATED C), Angewandte Chemie, International Edition in English, 34(20), 1995, pp. 2282-2285
THEORETICAL-STUDY OF THE [AL,H,C,N](-ENERGY SURFACE COMBINED WITH EXPERIMENTAL INVESTIGATIONS ON AL(HCN)(+)() POTENTIAL)
Authors: STOCKIGT D HOLTHAUSEN MC KOCH W SCHWARZ H
Citation: D. Stockigt et al., THEORETICAL-STUDY OF THE [AL,H,C,N](-ENERGY SURFACE COMBINED WITH EXPERIMENTAL INVESTIGATIONS ON AL(HCN)(+)() POTENTIAL), Journal of physical chemistry, 99(16), 1995, pp. 5950-5955
THE PERFORMANCE OF DENSITY-FUNCTIONAL HARTREE-FOCK HYBRID METHODS - CATIONIC TRANSITION-METAL METHYL COMPLEXES MCH(3)(-CU,LA,HF-AU)() (M=SC)
Authors: HOLTHAUSEN MC HEINEMANN C CORNEHL HH KOCH W SCHWARZ H
Citation: Mc. Holthausen et al., THE PERFORMANCE OF DENSITY-FUNCTIONAL HARTREE-FOCK HYBRID METHODS - CATIONIC TRANSITION-METAL METHYL COMPLEXES MCH(3)(-CU,LA,HF-AU)() (M=SC), The Journal of chemical physics, 102(12), 1995, pp. 4931-4941
AB-INITIO MO AND APPROXIMATE DENSITY-FUNCTIONAL THEORY STUDIES ON THELOWEST SINGLET AND TRIPLET-STATES OF S-INDACENE AND AS-INDACENE
Authors: HERTWIG RH HOLTHAUSEN MC KOCH W MAKSIC ZB
Citation: Rh. Hertwig et al., AB-INITIO MO AND APPROXIMATE DENSITY-FUNCTIONAL THEORY STUDIES ON THELOWEST SINGLET AND TRIPLET-STATES OF S-INDACENE AND AS-INDACENE, International journal of quantum chemistry, 54(3), 1995, pp. 147-159
THE PERFORMANCE OF DENSITY-FUNCTIONAL HARTREE-FOCK HYBRID METHODS - THE BONDING IN CATIONIC FIRST-ROW TRANSITION-METAL METHYLENE COMPLEXES
Authors: HOLTHAUSEN MC MOHR M KOCH W
Citation: Mc. Holthausen et al., THE PERFORMANCE OF DENSITY-FUNCTIONAL HARTREE-FOCK HYBRID METHODS - THE BONDING IN CATIONIC FIRST-ROW TRANSITION-METAL METHYLENE COMPLEXES, Chemical physics letters, 240(4), 1995, pp. 245-252
1(9)-HOMOCUBENE AND 9-HOMOCUBYLIDENE - THEORETICAL INVESTIGATION OF STRUCTURES, ENERGIES, AND REARRANGEMENT REACTIONS
Authors: HOLTHAUSEN MC KOCH W
Citation: Mc. Holthausen et W. Koch, 1(9)-HOMOCUBENE AND 9-HOMOCUBYLIDENE - THEORETICAL INVESTIGATION OF STRUCTURES, ENERGIES, AND REARRANGEMENT REACTIONS, Angewandte Chemie, International Edition in English, 33(6), 1994, pp. 668-670
S-INDACENE - A DELOCALIZED, FORMALLY ANTIAROMATIC 12-PI-ELECTRON SYSTEM
Authors: HERTWIG RH HOLTHAUSEN MC KOCH W MAKSIC ZB
Citation: Rh. Hertwig et al., S-INDACENE - A DELOCALIZED, FORMALLY ANTIAROMATIC 12-PI-ELECTRON SYSTEM, Angewandte Chemie, International Edition in English, 33(11), 1994, pp. 1192-1194
AB-INITIO MOLECULAR-ORBITAL STUDY ON R3SICO+ R3SIOC+(R=H OR CH3)/
Authors: KOCH W HOLTHAUSEN MC
Citation: W. Koch et Mc. Holthausen, AB-INITIO MOLECULAR-ORBITAL STUDY ON R3SICO+ R3SIOC+(R=H OR CH3)/, International journal of mass spectrometry and ion processes, 127, 1993, pp. 183-190
DOUBLE-BOND GEOMETRY IN NORBORENE, SESQUINORBORNENES, AND RELATED-COMPOUNDS - A HIGH-LEVEL QUANTUM-CHEMICAL INVESTIGATION
Authors: HOLTHAUSEN MC KOCH W
Citation: Mc. Holthausen et W. Koch, DOUBLE-BOND GEOMETRY IN NORBORENE, SESQUINORBORNENES, AND RELATED-COMPOUNDS - A HIGH-LEVEL QUANTUM-CHEMICAL INVESTIGATION, Journal of physical chemistry, 97(39), 1993, pp. 10021-10027
A GAUSSIAN-1 TYPE AB-INITIO MO STUDY OF THE [CH2NO](-ENERGY SURFACE -THEORETICAL SUPPORT FOR THE EXISTENCE OF 3 EXPERIMENTALLY DISTINGUISHABLE ISOMERS IN THE GAS-PHASE() POTENTIAL)
Authors: HRUSAK J HOLTHAUSEN MC GOLDBERG N IRAQI M KOCH W SCHWARZ H
Citation: J. Hrusak et al., A GAUSSIAN-1 TYPE AB-INITIO MO STUDY OF THE [CH2NO](-ENERGY SURFACE -THEORETICAL SUPPORT FOR THE EXISTENCE OF 3 EXPERIMENTALLY DISTINGUISHABLE ISOMERS IN THE GAS-PHASE() POTENTIAL), Israel Journal of Chemistry, 33(3), 1993, pp. 277-286
MASS-SPECTROMETRIC AND GAUSSIAN2 STUDIES OF THE DIAZENE (HNNH) AND ISODIAZENE (H2NN) MOLECULES AND THEIR RADICAL CATIONS
Authors: GOLDBERG N HOLTHAUSEN MC HRUSAK J KOCH W SCHWARZ H
Citation: N. Goldberg et al., MASS-SPECTROMETRIC AND GAUSSIAN2 STUDIES OF THE DIAZENE (HNNH) AND ISODIAZENE (H2NN) MOLECULES AND THEIR RADICAL CATIONS, Chemische Berichte, 126(12), 1993, pp. 2753-2758
Risultati: 1-18 |