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400 Publikationen

1995 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1641125
W. Schoeller, J. STRUTWOLF, and E. NIECKE, “ON THE ELECTRONIC-STRUCTURES OF THE METAPHOSPHATE (METAPHOSPHITE) ANIONS PX(3)((-))(PX(2)((-))), X=CH2, SIH2, NH, PH, O, S”, THEOCHEM-JOURNAL OF MOLECULAR STRUCTURE, vol. 333, 1995, pp. 249-260.
PUB | DOI | WoS
 
1994 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1897275
U. Manthe, “Comment on: A multiconfiguration time-dependent Hartree approximation based on natural single particle states”, JOURNAL OF CHEMICAL PHYSICS, vol. 101, 1994, pp. 2652-2653.
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1994 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1641856
C. GALLIOT, et al., “PHOSPHORUS-CONTAINING N-METHYLENEAMINE TYPE COMPOUNDS - SYNTHESIS, STRUCTURE, AND REACTIVITY”, INORGANIC CHEMISTRY, vol. 33, 1994, pp. 6351-6356.
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1994 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1642373
W. Schoeller and T. BUSCH, “ON THE ELECTRONIC-STRUCTURE OF THE CATIONS, RADICALS AND ANIONS OF H2SIP, H2PSI AND RELATED-COMPOUNDS”, JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, vol. 119, 1994, pp. 27-40.
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1994 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1644234
G. DAVID, et al., “DONOR STABILIZATION, TRANSFER-REACTIONS, AND BONDING PROPERTIES OF A METHYLENEDIYLPHOSPHENIUM ION”, JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, vol. 116, 1994, pp. 2191-2192.
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1994 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1643798
W. Schoeller and T. BUSCH, “ELECTRONIC-STRUCTURE OF THE DISILENYL RADICAL-ANION”, JOURNAL OF PHYSICAL ORGANIC CHEMISTRY, vol. 7, 1994, pp. 251-255.
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1994 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1642571
G. DAVID, et al., “SPECTROSCOPIC INVESTIGATIONS ON IMINOPHOSPHANES AND METHYLENEPHOSPHANES”, JOURNAL OF THE CHEMICAL SOCIETY-FARADAY TRANSACTIONS, vol. 90, 1994, pp. 2611-2616.
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1994 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1643036
D. GUDAT, et al., “P-31 SOLID-STATE NMR-STUDY OF IMINOPHOSPHINES - INFLUENCE OF ELECTRONIC-STRUCTURE AND CONFIGURATION OF THE DOUBLE-BOND ON PHOSPHORUS SHIELDING”, JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, vol. 116, 1994, pp. 7325-7331.
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1994 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1644135
W. Schoeller and J. STRUTWOLF, “ON THE ELECTRONIC HYPERSURFACE OF THE METHYLENEPHOSPHENIUM CATION”, THEOCHEM-JOURNAL OF MOLECULAR STRUCTURE, vol. 111, 1994, pp. 127-137.
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1994 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1897260
A. Vef, et al., “Intersystem crossing dynamics in the spin-crossover systems [M:Fe(pic)3]Cl2.Sol (M=Mn or Zn, Sol=MeOH or EtOH)”, JOURNAL OF CHEMICAL PHYSICS, vol. 101, 1994, pp. 9326-9332.
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1994 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1897265
A.D. Hammerich, et al., “Time-dependent photodissociation of methyl iodide with five active modes”, JOURNAL OF CHEMICAL PHYSICS, vol. 101, 1994, pp. 5623-5646.
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1994 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1642096
E. NIECKE, et al., “MONOMERIC TRIS(IMINO)METAPHOSPHATES”, ANGEWANDTE CHEMIE-INTERNATIONAL EDITION IN ENGLISH, vol. 33, 1994, pp. 2111-2113.
PUB | DOI | WoS
 
1994 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1897271
U. Manthe, T. Seideman, and W.H. Miller, “Quantum mechanical calculations of the rate constant for the HO+H2-> H2O+H reaction: full-dimensional results and comparision to reduced dimensionality models”, JOURNAL OF CHEMICAL PHYSICS, vol. 101, 1994, pp. 4759-4768.
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1993 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1645358
W. Schoeller, “SMALL RING CYCLOPHOSPHENES - A THEORETICAL EVALUATION OF BONDING PROPERTIES”, THEOCHEM-JOURNAL OF MOLECULAR STRUCTURE, vol. 103, 1993, pp. 61-66.
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1993 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1645864
W. Schoeller and T. BUSCH, “AZA-SUBSTITUTION VERSUS PHOSPHA-SUBSTITUTION IN CYCLOBUTADIENE - A THEORETICAL EVALUATION OF BONDING PROPERTIES”, ANGEWANDTE CHEMIE-INTERNATIONAL EDITION IN ENGLISH, vol. 32, 1993, pp. 617-619.
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1993 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1646420
E. NIECKE, et al., “FROM COVALENT TO IONIC BONDING - SPONTANEOUS BOND-DISSOCIATION IN OXY-SUBSTITUTED IMINOPHOSPHANES”, BULLETIN DE LA SOCIETE CHIMIQUE DE FRANCE, vol. 130, 1993, pp. 25-31.
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1993 | Konferenzbeitrag | Veröffentlicht | PUB-ID: 1645157
W. Schoeller, et al., “PHOSPHORUS IN STRAINED RING-SYSTEMS”, PHOSPHORUS SULFUR AND SILICON AND THE RELATED ELEMENTS, vol. 77, 1993, pp. 645-648.
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1993 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1645486
G. DAVID, et al., “[N+2]-CYCLOADDITION REACTIONS OF THE (ARYLIMINO)PHOSPHENIUM ION, [PNAR]+ - KATIONIC PN HETEROCYCLES WITH UNUSUAL STRUCTURE AND BONDING SITUATION”, CHEMISCHE BERICHTE-RECUEIL, vol. 126, 1993, pp. 1513-1517.
PUB | DOI | WoS
 
1993 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1897277
U. Manthe, T. Seideman, and W.H. Miller, “Full-dimensional quantum calculations of the rate constant for the HO+H2 -> H2O+H reaction”, JOURNAL OF CHEMICAL PHYSICS, vol. 99, 1993, pp. 10078-10081.
PUB | DOI | WoS
 
1993 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1897284
U. Manthe and A.D. Hammerich, “Wavepacket Dynamics in Five Dimensions: Photodissociation of Methyl Iodide”, CHEMICAL PHYSICS LETTERS, vol. 211, 1993, pp. 7-14.
PUB | DOI | WoS
 
1993 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1646980
W. Schoeller, et al., “ROTATIONAL BARRIER IN PHOSPHATRIAFULVENE - AN MCSCF STUDY”, JOURNAL OF COMPUTATIONAL CHEMISTRY, vol. 14, 1993, pp. 3-7.
PUB | DOI | WoS
 
1993 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1644939
W. Schoeller, W. HAUG, and J. STRUTWOLF, “ON THE ELECTRONIC HYPERSURFACE OF THE PHOSPHIRANYL CATION - A THEORETICAL-STUDY”, BULLETIN DE LA SOCIETE CHIMIQUE DE FRANCE, vol. 130, 1993, pp. 636-641.
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1993 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1897281
U. Manthe and W.H. Miller, “The Cumulative Reaction Probability as Eigenvalue Problem”, JOURNAL OF CHEMICAL PHYSICS, vol. 99, 1993, pp. 3411-3419.
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1992 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1897287
U. Manthe, H.D. Meyer, and L.S. Cederbaum, “Multiconfigurational time-dependent Hartree study of complex dynamics: Photodissociation of NO2”, JOURNAL OF CHEMICAL PHYSICS, vol. 97, 1992, pp. 9062-9071.
PUB | DOI | WoS
 
1992 | Sammelwerksbeitrag | Veröffentlicht | PUB-ID: 1897838
M. H.-D., et al., “Approximate methods for time evolution of wave packets”, Time-dependent Quantum Molecular Dynamics, B. J. and L. L., eds., New York: Plenum Press, 1992, pp.223.
PUB
 
1992 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1647965
R. DETSCH, et al., “MONOMER AND DIMER 1,3-DIAZA-2-PHOSPHAALLYLLITHIUM COMPLEXES - STRUCTURES AND AMBIDENT REACTIVITY”, CHEMISCHE BERICHTE-RECUEIL, vol. 125, 1992, pp. 1119-1124.
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1992 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1647877
W. Schoeller and T. BUSCH, “BIS(METHYLENE)PHOSPHORANE AND RELATED-COMPOUNDS - ELECTROCYCLIZATION TO RING-SYSTEMS”, CHEMISCHE BERICHTE-RECUEIL, vol. 125, 1992, pp. 1319-1323.
PUB | DOI | WoS
 
1992 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1897291
U. Manthe, H.D. Meyer, and L.S. Cederbaum, “Wave-packet dynamics within the multiconfigurational Hartree framework: General aspects and application to NOCl”, JOURNAL OF CHEMICAL PHYSICS, vol. 97, 1992, pp. 3199-3213.
PUB | DOI | WoS
 
1992 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1647154
T. BUSCH and W. Schoeller, “BRIDGING IN P2R CATIONS”, CHEMICAL PHYSICS LETTERS, vol. 200, 1992, pp. 26-34.
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1992 | Sammelwerksbeitrag | Veröffentlicht | PUB-ID: 1897846
K. H. and U. Manthe, “Femtosecond wave-packet dynamics on strongly coupled potential energy surfaces”, Time-dependent Quantum Molecular Dynamics, B. J. and L. L., eds., New York: Plenum Press, 1992, pp.83.
PUB
 
1991 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1897299
U. Manthe and H. Köppel, “Three-dimensional wave-packet dynamics on vibronically coupled dissociative potential energy surfaces”, CHEMICAL PHYSICS LETTERS, vol. 178, 1991, pp. 36-42.
PUB | DOI | WoS
 
1991 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1649855
W. Schoeller and T. BUSCH, “SUBSTITUENT EFFECTS ON FOLDING IN CYCLOTETRAPHOSPHANE”, CHEMISCHE BERICHTE, vol. 124, 1991, pp. 1369-1371.
PUB | DOI | WoS
 
1991 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1650167
W. Schoeller, et al., “ELECTROCHEMICAL INVESTIGATIONS ON METHYLENEPHOSPHINES AND RELATED SYSTEMS”, CHEMISCHE BERICHTE, vol. 124, 1991, pp. 417-421.
PUB | DOI | WoS
 
1991 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1629803
E. FUCHS, et al., “ORGANOPHOSPHORUS COMPOUNDS .51. PHOSPHATRIAFULVENES - PHOSPHAALKENES WITH INVERSE ELECTRON-DENSITY”, CHEMISCHE BERICHTE-RECUEIL, vol. 124, 1991, pp. 2843-2855.
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1991 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1650298
W. Schoeller, et al., “ON THE ELECTRONIC-STRUCTURE OF PHOSPHABUTATRIENE AND RELATED PHOSPHACUMULENES - A THEORETICAL-STUDY”, CHEMISCHE BERICHTE, vol. 124, 1991, pp. 271-274.
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1991 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1649671
J. NIEMANN, et al., “REDOX PROPERTIES OF DIPHOSPHANES”, CHEMISCHE BERICHTE, vol. 124, 1991, pp. 1563-1565.
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1991 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1897295
U. Manthe, H. Köppel, and L.S. Cederbaum, “Dissociation and predissociation on coupled electronic potential energy surfaces: A three-dimensional wave packet dynamical study”, JOURNAL OF CHEMICAL PHYSICS, vol. 95, 1991, pp. 1708-1720.
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1990 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2357066
D. Anselmetti, et al., “HEXAGONAL AND NONHEXAGONAL SUPERLATTICE STRUCTURES ON STAGE-1 ALKALI-METAL GRAPHITE-INTERCALATION COMPOUNDS STUDIED BY SCANNING TUNNELING MICROSCOPY”, Synthetic Metals, vol. 38, 1990, pp. 157-167.
PUB | DOI | WoS
 
1990 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1897302
H. Spiering, et al., “Advances in Mössbauer Emission-Spectroscopy”, HYPERFINE INTERACTIONS, vol. 53, 1990, pp. 113-141.
PUB
 
1990 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1651021
W. Schoeller, T. BUSCH, and E. NIECKE, “SIGMA-PUSH-PULL SUBSTITUTION IN IMINOPHOSPHANES, A THEORETICAL-STUDY”, CHEMISCHE BERICHTE, vol. 123, 1990, pp. 1653-1654.
PUB | DOI | WoS
 
1990 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1651492
W. Schoeller and T. BUSCH, “DIPHOSPHINONITRENIUM AND DIPHOSPHENIUM CATIONS, JAHN-TELLER DISTORTED ALLYL SYSTEMS”, CHEMISCHE BERICHTE, vol. 123, 1990, pp. 971-973.
PUB | DOI | WoS
 
1990 | Konferenzbeitrag | Veröffentlicht | PUB-ID: 1651275
W. Schoeller, T. BUSCH, and W. HAUG, “SUBSTITUENT EFFECTS ON GEOMETRIES OF IMINOPHOSPHANES AND DISPHOSPHENES - THE EFFECT OF SIGMA-PUSH-PULL SUBSTITUTION”, PHOSPHORUS SULFUR AND SILICON AND THE RELATED ELEMENTS, vol. 49, 1990, pp. 285-288.
PUB | DOI | WoS
 
1990 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1897316
H.D. Meyer, U. Manthe, and L.S. Cederbaum, “The multi-configurational time-dependent Hartree approach”, CHEMICAL PHYSICS LETTERS, vol. 165, 1990, pp. 73-78.
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1990 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1897310
U. Manthe and H. Köppel, “Dynamics on potential energy surfaces with a conical intersection: Adiabatic, intermediate, and diabatic behavior”, JOURNAL OF CHEMICAL PHYSICS, vol. 93, 1990, pp. 1658-1669.
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1990 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1897313
U. Manthe and H. Köppel, “New method for calculating wave packet dynamics: Strongly coupled surfaces and the adiabatic basis”, JOURNAL OF CHEMICAL PHYSICS, vol. 93, 1990, pp. 345-356.
PUB | DOI | WoS
 
1989 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1652173
W. Schoeller and J. NIEMANN, “BONDING IN THE TRISMETHYLENEMETAPHOSPHATE ANION AND RELATED-COMPOUNDS - PYRAMIDALIZATION AT PHOSPHORUS, THEORETICAL AND EXPERIMENTAL INVESTIGATIONS”, PHOSPHORUS SULFUR AND SILICON AND THE RELATED ELEMENTS, vol. 46, 1989, pp. 47-59.
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1989 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1652560
T. BUSCH and W. Schoeller, “CYCLIC AND LINEAR ANALOGS OF N2O - THEORETICAL EVALUATION OF BONDING PROPERTIES”, ZEITSCHRIFT FUR PHYSIK D-ATOMS MOLECULES AND CLUSTERS, vol. 13, 1989, pp. 289-294.
PUB | DOI | WoS
 
1989 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1652276
T. BUSCH, et al., “UNUSUAL BONDING IN A MAIN-GROUP MULTIPLE-BONDED SYSTEM - UMBRELLA-SHAPED DIPHOSPHENES”, INORGANIC CHEMISTRY, vol. 28, 1989, pp. 4334-4340.
PUB | DOI | WoS
 
1989 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1652689
W. GUTH, et al., “A CYCLIC 1.2-DIPHOSPHA-1.3-DIENE - SYNTHESIS, CRYSTAL-STRUCTURE AND BONDING PROPERTIES”, NEW JOURNAL OF CHEMISTRY, vol. 13, 1989, pp. 309-313.
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1989 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1652383
E.P.O. FUCHS, et al., “UNUSUALLY COORDINATED PHOSPHORUS-COMPOUNDS .39. PHOSPHATRIAFULVENES - PHOSPHAALKENES WITH INVERSE ELECTRON-DENSITY”, TETRAHEDRON LETTERS, vol. 30, 1989, pp. 5111-5114.
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