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403 Publikationen

1996 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1628697
V. Thelen, et al., “Synthesis, structure, and reactivity of a 2,3,4-triphosphapentadienide”, ANGEWANDTE CHEMIE-INTERNATIONAL EDITION IN ENGLISH, vol. 35, 1996, pp. 313-315.
PUB | DOI | WoS
 
1996 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1639471
G. Alcaraz, et al., “X-ray crystal structure, ab initio calculations, and reactivity of 1,3,2 lambda(5)-diazaphosphetes: A new type of 4-pi-electron 4-membered heterocycle”, INORGANIC CHEMISTRY, vol. 35, 1996, pp. 2458-2462.
PUB | DOI | WoS | PubMed | Europe PMC
 
1996 | Konferenzbeitrag | Veröffentlicht | PUB-ID: 1638493
W. Schoeller, J. Strutwolf, and E. Niecke, “Orbital isomerism in the 1.3-diphosphacyclobutane-2.4-diyl, quantum chemical investigations at MCSCF level”, PHOSPHORUS SULFUR AND SILICON AND THE RELATED ELEMENTS, vol. 111, 1996, pp. 674-674.
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1996 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1639066
W. Schoeller and U. Tubbesing, “The effect of substituting phosphorus for a ring carbon atom in the valence isomers cyclobutene, bicyclobutane, and 1,3-butadiene. A quantum-chemical investigation”, CHEMISCHE BERICHTE, vol. 129, 1996, pp. 419-425.
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1996 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1628932
G. Alcaraz, et al., “Mechanism of the exchange reaction of halodiazirines with nucleophiles revisited. Synthesis of neutral, mono- or dicationic 4-16-membered phosphorus heterocycles”, JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, vol. 118, 1996, pp. 1060-1065.
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1996 | Konferenzbeitrag | Veröffentlicht | PUB-ID: 1638490
W. Schoeller and J. Strutwolf, “On the electronic structures of metaphosphate PX(3)((-)) and metaphosphite PX(2)((-)) anions, X=CH2,SIH2,NH,PH,O,S”, PHOSPHORUS SULFUR AND SILICON AND THE RELATED ELEMENTS, vol. 111, 1996, pp. 673-673.
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1996 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1628422
J. Strutwolf and W. Schoeller, “Linear and cyclic sweep voltammetry at a rotating disk electrode. A digital simulation”, ELECTROANALYSIS, vol. 8, 1996, pp. 1034-1039.
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1996 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1897246
U. Manthe, “A time-dependent discrete variable representation for (multiconfiguration) Hartree methods”, JOURNAL OF CHEMICAL PHYSICS, vol. 105, 1996, pp. 6989-6994.
PUB | DOI | WoS
 
1996 | Konferenzbeitrag | Veröffentlicht | PUB-ID: 1897793
U. Manthe, “Direct calculation of reaction rates within the multi-configurational time-dependent Hartree (MCTDH) approach, in Femtochemistry: Ultrafast Chemical and Physical Processes in Molecular Systems”, Femtochemistry: Ultrafast Chemical and Physical Processes in Molecular Systems, C. M., ed., Singapore: World Scientific Publishing, 1996, pp.90.
PUB
 
1996 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1897248
U. Manthe and F. Matzkies, “Iterative diagonalization within the multi-configurational time-dependent Hartree approach: Calculation of vibrationally excited states and reaction rates”, CHEMICAL PHYSICS LETTERS, vol. 252, 1996, pp. 71-76.
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1996 | Konferenzbeitrag | Veröffentlicht | PUB-ID: 1638204
W. Schoeller, et al., “Cation and anion stabilities of low-coordinated ii-bonded phosphorus systems. An ab initio quantum chemical investigation”, PHOSPHORUS SULFUR AND SILICON AND THE RELATED ELEMENTS, vol. 110, 1996, pp. 101-104.
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1996 | Konferenzbeitrag | Veröffentlicht | PUB-ID: 1638209
E. Niecke, et al., “Novel aspects in the synthesis of carbenoids containing P/C-p pi-bonds”, PHOSPHORUS SULFUR AND SILICON AND THE RELATED ELEMENTS, vol. 110, 1996, pp. 613-616.
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1996 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1639122
W. Schoeller, et al., “The phospha-2-allyl-system: Electrochemical and quantum chemical investigations”, JOURNAL OF THE CHEMICAL SOCIETY-FARADAY TRANSACTIONS, vol. 92, 1996, pp. 1751-1755.
PUB | DOI | WoS
 
1995 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1897256
U. Manthe, “Calculation of initial state-selected reaction probabilities by a minimal number of wavepackets”, CHEMICAL PHYSICS LETTERS, vol. 241, 1995, pp. 497-501.
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1995 | Bielefelder E-Dissertation | PUB-ID: 2306251 OA
J. Stiehler, Der numerische Multiconfiguration Self-Consistent Field-Ansatz für Atome, Bielefeld (Germany): Bielefeld University, 1995.
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1995 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1629383
W. Schoeller and U. TUBBESING, “RELATIVE CATION VERSUS ANION STABILITIES OF LOW-COORDINATED P(III)PI-BONDED PHOSPHORUS-COMPOUNDS”, THEOCHEM-JOURNAL OF MOLECULAR STRUCTURE, vol. 343, 1995, pp. 49-55.
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1995 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1629283
W. Schoeller, B. GOETTE, and U. TUBBESING, “ELECTRONIC-STRUCTURE OF THE 1,3-DIPHOSPHETANE”, JOURNAL OF PHYSICAL ORGANIC CHEMISTRY, vol. 8, 1995, pp. 742-746.
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1995 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1641265
W. Schoeller, “ON BONDING IN THE TETRAPHOSPHABICYCLO[3.3.0]OCTA-1,4-DIENE-1,4-DIOLATE DILITHIUM STRUCTURE”, THEOCHEM-JOURNAL OF MOLECULAR STRUCTURE, vol. 332, 1995, pp. 225-229.
PUB | DOI | WoS
 
1995 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1641557
W. Schoeller, et al., “HALOGEN SUBSTITUTION AT PHOSPHORUS IN PHOSPHAALKENES AND PHOSPHASILENES VERSUS BIS(METHYLENE)PHOSPHORANES - A QUANTUM-CHEMICAL EVALUATION OF BONDING PROPERTIES”, JOURNAL OF PHYSICAL CHEMISTRY, vol. 99, 1995, pp. 2329-2334.
PUB | DOI | WoS
 
1995 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1640051
E. NIECKE, et al., “CARBENOID OR LITHIUM COMPLEX OF A CARBANION - SYNTHESIS AND STRUCTURE OF (ME(3)SI)(2)C=P(ARYL)=C(CL)LI(THF)(3) AND LICL ELIMINATION TO GIVE THE PHOSPHIRENE”, ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, vol. 34, 1995, pp. 1849-1852.
PUB | DOI | WoS
 
1995 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1641357
E. NIECKE, et al., “A P2C2 4-MEMBERED RING WITH UNUSUAL BONDING - SYNTHESIS, STRUCTURE, AND RING-OPENING OF A 1,3-DIPHOSPHACYCLOBUTANE-2,4-DIYL”, ANGEWANDTE CHEMIE-INTERNATIONAL EDITION IN ENGLISH, vol. 34, 1995, pp. 555-557.
PUB | DOI | WoS
 
1995 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1897258
U. Manthe, “A new time-dependent approach to the direct calculation of reaction rates”, JOURNAL OF CHEMICAL PHYSICS, vol. 102, 1995, pp. 9205-9213.
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1995 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1640583
W. Schoeller, “VINYLIDENECARBENOID - THE IMPORTANCE OF SOLVATION AND ELECTRON CORRELATION-EFFECTS ON ITS STRUCTURE”, CHEMICAL PHYSICS LETTERS, vol. 241, 1995, pp. 21-25.
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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.
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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.
PUB | DOI | WoS
 
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: 1642571
G. DAVID, et al., “SPECTROSCOPIC INVESTIGATIONS ON IMINOPHOSPHANES AND METHYLENEPHOSPHANES”, JOURNAL OF THE CHEMICAL SOCIETY-FARADAY TRANSACTIONS, vol. 90, 1994, pp. 2611-2616.
PUB | DOI | WoS
 
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.
PUB | DOI | WoS
 
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.
PUB | DOI | WoS
 
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.
PUB | DOI | WoS
 
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.
PUB | DOI | WoS
 
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.
PUB | WoS
 
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.
PUB | DOI | WoS
 
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.
PUB | WoS
 
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.
PUB | WoS
 
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.
PUB | DOI | WoS
 
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.
PUB | DOI | WoS
 
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.
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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.
PUB | DOI | WoS
 
1991 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1649671
J. NIEMANN, et al., “REDOX PROPERTIES OF DIPHOSPHANES”, CHEMISCHE BERICHTE, vol. 124, 1991, pp. 1563-1565.
PUB | DOI | WoS
 
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.
PUB | DOI | WoS
 
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.
PUB | DOI | WoS
 
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.
PUB | DOI | WoS
 
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.
PUB | DOI | WoS
 
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: 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: 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.
PUB | 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.
PUB | WoS
 
1989 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1653230
W. Schoeller and T. BUSCH, “BIS-SILANEDIYLPHOSPHORANE VERSUS BIS-METHYLENEPHOSPHORANE - A THEORETICAL-STUDY”, JOURNAL OF THE CHEMICAL SOCIETY-CHEMICAL COMMUNICATIONS, 1989, pp. 234-236.
PUB | DOI | WoS
 
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.
PUB | DOI | WoS
 
1988 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1653666
W. Knoche, et al., “PROTONATION OF 1,3,5-TRIAMINOBENZENES IN AQUEOUS-SOLUTIONS - THERMODYNAMICS AND KINETICS OF THE FORMATION OF STABLE SIGMA-COMPLEXES”, JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, vol. 110, 1988, pp. 7484-7489.
PUB | DOI | WoS
 
1988 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1654457
W. Schoeller, J. NIEMANN, and P. RADEMACHER, “ON THE ELECTROCHEMICAL OXIDATION OF ENAMINES”, JOURNAL OF THE CHEMICAL SOCIETY-PERKIN TRANSACTIONS 2, 1988, pp. 369-373.
PUB | DOI | WoS
 
1988 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1653372
E. NIECKE, et al., “SYNTHESIS, STRUCTURE AND BONDING IN THE DONOR-ACCEPTOR COMPLEX [TERTBU2PSE2].[PNARYL] - EN ROUTE TO THE P=N BOND”, ANGEWANDTE CHEMIE-INTERNATIONAL EDITION IN ENGLISH, vol. 27, 1988, pp. 1713-1714.
PUB | DOI | WoS
 
1987 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1655310
W. Schoeller and J. NIEMANN, “ON THE POTENTIAL HYPERSURFACE OF THE DICATION OF CYCLOTETRAPHOSPHANE”, THEOCHEM-JOURNAL OF MOLECULAR STRUCTURE, vol. 37, 1987, pp. 145-154.
PUB | WoS
 
1987 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1655651
W. Schoeller and T. DABISCH, “BONDING IN CYCLOSILANES - EFFECT OF ORBITAL NONHYBRIDIZATION”, INORGANIC CHEMISTRY, vol. 26, 1987, pp. 1081-1086.
PUB | DOI | WoS
 
1987 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1655568
C. LERCH, J. NIEMANN, and W. Schoeller, “BISMETHYLENEPHOSPHORANE AND TRISMETHYLENEPHOSPHORANE - EXPERIMENTAL AND THEORETICAL EVALUATION OF BONDING PROPERTIES”, PHOSPHORUS SULFUR AND SILICON AND THE RELATED ELEMENTS, vol. 30, 1987, pp. 503-506.
PUB | DOI | WoS
 
1987 | Kurzbeitrag Konferenz / Poster | Veröffentlicht | PUB-ID: 1655587
J. NIEMANN and W. Schoeller, “ON THE REDOX PROPERTIES OF CYCLOPHOSPHANES”, PHOSPHORUS SULFUR AND SILICON AND THE RELATED ELEMENTS, vol. 30, 1987, pp. 803-803.
PUB | DOI | WoS
 
1987 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1654656
W. Schoeller, T. DABISCH, and T. BUSCH, “BOND STRETCH ISOMERISM IN THE SILICON ANALOGS OF BICYCLO[1.1.0]BUTANE AND OF [1.1.1]PROPELLANE - CONSEQUENCE OF ORBITAL NONHYBRIDIZATION”, INORGANIC CHEMISTRY, vol. 26, 1987, pp. 4383-4389.
PUB | DOI | WoS
 
1986 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1657006
W. Schoeller and C. LERCH, “DICOORDINATION AND TRICOORDINATION AT PHOSPHORUS - ABINITIO STUDY OF BONDING IN BIS(IMINO)PHOSPHORANES AND RELATED-COMPOUNDS”, INORGANIC CHEMISTRY, vol. 25, 1986, pp. 576-580.
PUB | DOI | WoS
 
1986 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1656091
H.G. SCHAFER, et al., “ON THE REDOX PROPERTIES OF CYCLOTETRAPHOSPHANES - A NOVEL DICATION REARRANGEMENT”, JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, vol. 108, 1986, pp. 7481-7484.
PUB | DOI | WoS | PubMed | Europe PMC
 
1986 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1657199
W. Schoeller and J. NIEMANN, “SOME ASPECTS OF THE ELECTRONIC HYPERSURFACE OF BIS(METHYLENE)PHOSPHORANE - AN EXPERIMENTAL AND THEORETICAL APPROACH”, JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, vol. 108, 1986, pp. 22-26.
PUB | DOI | WoS
 
1986 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1656529
U. DRESSLER, et al., “1-AMINODIAZAPHOSPHENE, SYNTHESIS, CRYSTAL-STRUCTURE, BONDING PROPERTIES, AND REACTIVITY OF A DERIVATIVE”, JOURNAL OF THE CHEMICAL SOCIETY-CHEMICAL COMMUNICATIONS, 1986, pp. 1086-1087.
PUB | DOI | WoS
 
1986 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1656593
T. DABISCH and W. Schoeller, “UNUSUAL BONDING IN BICYCLOTETRASILANE VS BICYCLOBUTANE - A THEORETICAL-STUDY”, JOURNAL OF THE CHEMICAL SOCIETY-CHEMICAL COMMUNICATIONS, 1986, pp. 896-898.
PUB | DOI | WoS
 
1986 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1656125
W. Schoeller, et al., “THEORETICAL-STUDIES ON INORGANIC RING-SYSTEMS - TETRAPHOSPHABICYCLOBUTANE, CYCLOTRIPHOSPHANE, AND WHITE PHOSPHORUS - RING STRAIN AND HYBRIDIZATION”, INORGANIC CHEMISTRY, vol. 25, 1986, pp. 4382-4385.
PUB | DOI | WoS
 
1986 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1656711
S. VOGEL, W. Knoche, and W. Schoeller, “PROTONATION OF 1,3,5-TRIPYRROLIDINOBENZENE IN BASIC AQUEOUS-SOLUTION - THERMODYNAMICS AND KINETICS OF THE FORMATION OF A STABLE SIGMA-COMPLEX”, JOURNAL OF THE CHEMICAL SOCIETY-PERKIN TRANSACTIONS 2, 1986, pp. 769-772.
PUB | DOI | WoS
 
1986 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1656648
W. Schoeller, “THEORETICAL ASPECTS OF THE INVERSION BARRIERS IN CYCLOTRIPHOSPHANES AND RELATED SYSTEMS”, THEOCHEM-JOURNAL OF MOLECULAR STRUCTURE, vol. 30, 1986, pp. 341-345.
PUB | WoS
 
1985 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1657656
E. NIECKE, et al., “PHOSPHORUS(III) DOUBLE-BOND SYSTEMS, CARBENE AND ALKENE ANALOGS - THE ELECTRONIC-STRUCTURE OF IMINO-PHOSPHANES AND METHYLENE-PHOSPHANES”, JOURNAL OF THE CHEMICAL SOCIETY-CHEMICAL COMMUNICATIONS, 1985, pp. 1050-1051.
PUB | DOI | WoS
 
1985 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1657285
W. Schoeller and T. DABISCH, “ANOMALY IN THE RING STRAIN BEHAVIOR OF CYCLOPROPANE, CYCLOBUTANE, AND CYCLOPENTANE, COMPARED WITH THEIR SILICON ANALOGS - A THEORETICAL-STUDY”, JOURNAL OF THE CHEMICAL SOCIETY-CHEMICAL COMMUNICATIONS, 1985, pp. 1706-1707.
PUB | DOI | WoS
 
1985 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1657534
W. Schoeller, “BONDING IN THE P(PH3)2 AND N(PH3)2 CATIONS - AN ABINITIO STUDY”, ZEITSCHRIFT FUR NATURFORSCHUNG SECTION B-A JOURNAL OF CHEMICAL SCIENCES, vol. 40, 1985, pp. 1149-1151.
PUB | WoS
 
1985 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1658114
W. Schoeller, “THE (4+2) CYCLO-ADDITION PROPERTIES OF HETEROATOM DOUBLE-BOND SYSTEMS - A FRONTIER ORBITAL APPROACH TO REACTIVITY”, JOURNAL OF THE CHEMICAL SOCIETY-CHEMICAL COMMUNICATIONS, 1985, pp. 334-335.
PUB | DOI | WoS
 
1984 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1658278
W. Schoeller, “ON THE CIRCUMAMBULATORY REARRANGEMENT OF CYCLOPENTADIENYLPHOSPHANES - RETENTION VERSUS INVERSION AT THE MIGRATION PHOSPHORUS”, ZEITSCHRIFT FUR NATURFORSCHUNG SECTION B-A JOURNAL OF CHEMICAL SCIENCES, vol. 39, 1984, pp. 1767-1771.
PUB | WoS
 
1984 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1658511
W. Schoeller, “THE 1,5-SIGMATROPIC SHIFT OF A BR2 UNIT (R = H, F, OH, NH2, CL, OR SH) OVER A CYCLOPENTADIENE SYSTEM”, JOURNAL OF THE CHEMICAL SOCIETY-DALTON TRANSACTIONS, 1984, pp. 2233-2236.
PUB | DOI | WoS
 
1984 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1658551
W. Schoeller and V. STAEMMLER, “SUBSTITUENT EFFECTS ON BONDING PROPERTIES IN DIPHOSPHENES, DISILENES, AND DIIMINES”, INORGANIC CHEMISTRY, vol. 23, 1984, pp. 3369-3373.
PUB | DOI | WoS
 
1983 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1659307
W. Schoeller, “ON THE WALK REARRANGEMENT OF CYCLOPENTADIENYLPHOSPHANES AND RELATED-COMPOUNDS - A MOLECULAR-ORBITAL STUDY”, ZEITSCHRIFT FUR NATURFORSCHUNG SECTION B-A JOURNAL OF CHEMICAL SCIENCES, vol. 38, 1983, pp. 1635-1642.
PUB | DOI | WoS
 
1983 | Kurzbeitrag Konferenz / Poster | Veröffentlicht | PUB-ID: 1659182
W. Schoeller and C. LERCH, “ON THE ELECTRONIC-STRUCTURE OF BICYCLOTETRAPHOSPHABUTANE”, PHOSPHORUS SULFUR AND SILICON AND THE RELATED ELEMENTS, vol. 18, 1983, pp. 450.
PUB | WoS
 
1983 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1659447
W. Schoeller and T. DABISCH, “SUBSTITUENT EFFECTS ON THE BONDING PROPERTIES IN CYCLOTRIPHOSPHANES AND RELATED-COMPOUNDS - POLARIZATION OF HUCKEL VERSUS MOBIUS ORBITALS”, JOURNAL OF THE CHEMICAL SOCIETY-DALTON TRANSACTIONS, 1983, pp. 2411-2413.
PUB | DOI | WoS
 

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