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401 Publikationen

1998 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1897234
Manthe, Uwe, and Matzkies, F. 1998. “Quantum calculations of thermal rate constants and reaction probabilities: H2+CN -> H+HCN”. CHEMICAL PHYSICS LETTERS 282 (5-6): 442-449.
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1998 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1897219
Gerdts, T, and Manthe, Uwe. 1998. “A microscopic description of dissipation in systems with strong vibronic coupling: the S1 and S2 absorption spectra of pyrazine”. CHEMICAL PHYSICS LETTERS 295 (3): 167-174.
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1998 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1897226
Pesce, L, Gerdts, Y, Manthe, Uwe, and Saalfrank, P. 1998. “Variational wave packet method for dissipative photodesorption problems”. CHEMICAL PHYSICS LETTERS 288 (2-4): 383-390.
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1998 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1897231
Matzkies, F, and Manthe, Uwe. 1998. “Accurate quantum calculations of thermal rate constants employing MCTDH: H2+OH -> H+H2O and D2+OH -> D+DOH”. JOURNAL OF CHEMICAL PHYSICS 108 (12): 4828-4836.
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1998 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1626181
Canac, Y, Bourissou, D, Baceiredo, A, Gornitzka, H, Schoeller, Wolfgang, and Bertrand, G. 1998. “Isolation of a benzene valence isomer with one-electron phosphorus-phosphorus bonds”. SCIENCE 279 (5359): 2080-2082.
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1998 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1624798
Siemeling, U, Turk, T, Schoeller, Wolfgang, Redshaw, C, and Gibson, VC. 1998. “Benefits of the chelate effect: Preparation of an unsymmetrical ansa-bis(imido)molybdenum complex containing a seven-membered chelate ring”. INORGANIC CHEMISTRY 37 (18): 4738-4739.
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1998 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1625246
Schoeller, Wolfgang, and Tubbesing, U. 1998. “The electronic structure of the tris(diaminophosphanyl)carbenium ion. A quantum chemical investigation”. INORGANIC CHEMISTRY 37 (13): 3183-3185.
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1997 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1897237
Gerdts, T, and Manthe, Uwe. 1997. “The resonance Raman spectrum of CH3I: An application of the MCTDH approach”. JOURNAL OF CHEMICAL PHYSICS 107 (17): 6584-6593.
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1997 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1627961
Schoeller, Wolfgang, and Schneider, R. 1997. “Donor complexes of silylene, germylene, and stannylene”. CHEMISCHE BERICHTE-RECUEIL 130 (7): 1013-1020.
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1997 | Bielefelder E-Dissertation | PUB-ID: 2305135
Rosenberger, Martina. 01T00:00:00Z.01.1970. Zeitabhängige Formulierung des Mehr-Elektronen-Problems in Atomen. Bielefeld (Germany): Bielefeld University.
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1997 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1627676
Canac, Y, Baceiredo, A, Schoeller, Wolfgang, Gigmes, D, and Bertrand, G. 1997. “A room temperature stable 1,3-diphosphaallyl radical”. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 119 (32): 7579-7580.
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1997 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1626692
Schrodel, HP, Noth, H, SchmidtAmelunxen, M, Schoeller, Wolfgang, and Schmidpeter, A. 1997. “An ylide-substituted tetraphosphene, cyclotetraphosphane, and bicyclotetraphosphane”. CHEMISCHE BERICHTE-RECUEIL 130 (12): 1801-1805.
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1997 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1626328
Strutwolf, J, and Schoeller, Wolfgang. 1997. “Digital simulation of potential step experiments using the extrapolation method”. ELECTROANALYSIS 9 (18): 1403-1408.
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1997 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1897240
Gerdts, T, and Manthe, Uwe. 1997. “A wave packet approach to the Liouville-von Neumann equation for dissipative systems”. JOURNAL OF CHEMICAL PHYSICS 106 (8): 3017-3023.
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1997 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1897243
Matzkies, F, and Manthe, Uwe. 1997. “A multi-configurational time-dependent Hartree approach to the direct calculation of thermal rate constants”. JOURNAL OF CHEMICAL PHYSICS 106 (7): 2646-2653.
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1997 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1627292
Andrae, Dirk. 1997. “Recursive evaluation of expectation values (r(k)) for arbitrary states of the relativistic one-electron atom”. JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS 30 (20): 4435-4451.
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1997 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1637328
Andrae, Dirk, and Hinze, J. 1997. “Numerical electronic structure calculations for atoms .1. Generalized variable transformation and nonrelativistic calculations”. INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY 63 (1): 65-91.
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1996 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1897251
Salzgeber, RF, Manthe, Uwe, Weiss, T, and Schlier, C. 1996. “Improved L(2)-stabilization theory to compute resonances under multichannel conditions”. CHEMICAL PHYSICS LETTERS 249 (3-4): 237-243.
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1996 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1628697
Thelen, V, Schmidt, D, Nieger, M, Niecke, E, and Schoeller, Wolfgang. 1996. “Synthesis, structure, and reactivity of a 2,3,4-triphosphapentadienide”. ANGEWANDTE CHEMIE-INTERNATIONAL EDITION IN ENGLISH 35 (3): 313-315.
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1996 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1639471
Alcaraz, G, Baceiredo, A, Nieger, M, Schoeller, Wolfgang, and Bertrand, G. 1996. “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 35 (9): 2458-2462.
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1996 | Konferenzbeitrag | Veröffentlicht | PUB-ID: 1638493
Schoeller, Wolfgang, Strutwolf, J, and Niecke, E. 1996. “Orbital isomerism in the 1.3-diphosphacyclobutane-2.4-diyl, quantum chemical investigations at MCSCF level”, PHOSPHORUS SULFUR AND SILICON AND THE RELATED ELEMENTS, 111 (1-4): 674-674.
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1996 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1639066
Schoeller, Wolfgang, and Tubbesing, U. 1996. “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 129 (4): 419-425.
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1996 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1628932
Alcaraz, G, Piquet, V, Baceiredo, A, Dahan, F, Schoeller, Wolfgang, and Bertrand, G. 1996. “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 118 (5): 1060-1065.
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1996 | Konferenzbeitrag | Veröffentlicht | PUB-ID: 1638490
Schoeller, Wolfgang, and Strutwolf, J. 1996. “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, 111 (1-4): 673-673.
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1996 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1628422
Strutwolf, J, and Schoeller, Wolfgang. 1996. “Linear and cyclic sweep voltammetry at a rotating disk electrode. A digital simulation”. ELECTROANALYSIS 8 (11): 1034-1039.
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1996 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1897246
Manthe, Uwe. 1996. “A time-dependent discrete variable representation for (multiconfiguration) Hartree methods”. JOURNAL OF CHEMICAL PHYSICS 105 (16): 6989-6994.
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1996 | Konferenzbeitrag | Veröffentlicht | PUB-ID: 1897793
Manthe, Uwe. 1996. “Direct calculation of reaction rates within the multi-configurational time-dependent Hartree (MCTDH) approach, in Femtochemistry: Ultrafast Chemical and Physical Processes in Molecular Systems”. In Femtochemistry: Ultrafast Chemical and Physical Processes in Molecular Systems, ed. Chergui M., 90. Singapore: World Scientific Publishing.
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1996 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1897248
Manthe, Uwe, and Matzkies, F. 1996. “Iterative diagonalization within the multi-configurational time-dependent Hartree approach: Calculation of vibrationally excited states and reaction rates”. CHEMICAL PHYSICS LETTERS 252 (1-2): 71-76.
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1996 | Konferenzbeitrag | Veröffentlicht | PUB-ID: 1638204
Schoeller, Wolfgang, Tubbesing, U, Begeman, C, and Strutwolf, J. 1996. “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, 110 (1-4): 101-104.
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1996 | Konferenzbeitrag | Veröffentlicht | PUB-ID: 1638209
Niecke, E, Becker, P, Fuchs, A, Nieger, M, Schiffer, T, and Schoeller, Wolfgang. 1996. “Novel aspects in the synthesis of carbenoids containing P/C-p pi-bonds”, PHOSPHORUS SULFUR AND SILICON AND THE RELATED ELEMENTS, 110 (1-4): 613-616.
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1996 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1639122
Schoeller, Wolfgang, Haug, W, Strutwolf, J, and Busch, T. 1996. “The phospha-2-allyl-system: Electrochemical and quantum chemical investigations”. JOURNAL OF THE CHEMICAL SOCIETY-FARADAY TRANSACTIONS 92 (10): 1751-1755.
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1995 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1897256
Manthe, Uwe. 1995. “Calculation of initial state-selected reaction probabilities by a minimal number of wavepackets”. CHEMICAL PHYSICS LETTERS 241 (5-6): 497-501.
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1995 | Bielefelder E-Dissertation | PUB-ID: 2306251
Stiehler, Johannes. 01T00:00:00Z.01.1970. Der numerische Multiconfiguration Self-Consistent Field-Ansatz für Atome. Bielefeld (Germany): Bielefeld University.
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1995 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1629383
Schoeller, Wolfgang, and TUBBESING, U. 1995. “RELATIVE CATION VERSUS ANION STABILITIES OF LOW-COORDINATED P(III)PI-BONDED PHOSPHORUS-COMPOUNDS”. THEOCHEM-JOURNAL OF MOLECULAR STRUCTURE 343: 49-55.
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1995 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1629283
Schoeller, Wolfgang, GOETTE, B, and TUBBESING, U. 1995. “ELECTRONIC-STRUCTURE OF THE 1,3-DIPHOSPHETANE”. JOURNAL OF PHYSICAL ORGANIC CHEMISTRY 8 (11): 742-746.
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1995 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1641265
Schoeller, Wolfgang. 1995. “ON BONDING IN THE TETRAPHOSPHABICYCLO[3.3.0]OCTA-1,4-DIENE-1,4-DIOLATE DILITHIUM STRUCTURE”. THEOCHEM-JOURNAL OF MOLECULAR STRUCTURE 332 (3): 225-229.
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1995 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1641557
Schoeller, Wolfgang, STRUTWOLF, J, TUBBESING, U, and BEGEMANN, C. 1995. “HALOGEN SUBSTITUTION AT PHOSPHORUS IN PHOSPHAALKENES AND PHOSPHASILENES VERSUS BIS(METHYLENE)PHOSPHORANES - A QUANTUM-CHEMICAL EVALUATION OF BONDING PROPERTIES”. JOURNAL OF PHYSICAL CHEMISTRY 99 (8): 2329-2334.
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1995 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1641357
NIECKE, E, FUCHS, A, BAUMEISTER, F, NIEGER, M, and Schoeller, Wolfgang. 1995. “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 34 (5): 555-557.
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1995 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1640051
NIECKE, E, BECKER, P, NIEGER, M, STALKE, D, and Schoeller, Wolfgang. 1995. “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 34 (17): 1849-1852.
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1995 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1897258
Manthe, Uwe. 1995. “A new time-dependent approach to the direct calculation of reaction rates”. JOURNAL OF CHEMICAL PHYSICS 102 (23): 9205-9213.
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1995 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1640583
Schoeller, Wolfgang. 1995. “VINYLIDENECARBENOID - THE IMPORTANCE OF SOLVATION AND ELECTRON CORRELATION-EFFECTS ON ITS STRUCTURE”. CHEMICAL PHYSICS LETTERS 241 (1-2): 21-25.
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1995 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1641125
Schoeller, Wolfgang, STRUTWOLF, J, and NIECKE, E. 1995. “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 333 (3): 249-260.
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1994 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1897275
Manthe, Uwe. 1994. “Comment on: A multiconfiguration time-dependent Hartree approximation based on natural single particle states”. JOURNAL OF CHEMICAL PHYSICS 101 (3): 2652-2653.
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1994 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1642373
Schoeller, Wolfgang, and BUSCH, T. 1994. “ON THE ELECTRONIC-STRUCTURE OF THE CATIONS, RADICALS AND ANIONS OF H2SIP, H2PSI AND RELATED-COMPOUNDS”. JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM 119 (1): 27-40.
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1994 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1641856
GALLIOT, C, CAMINADE, AM, DAHAN, F, MAJORAL, JP, and Schoeller, Wolfgang. 1994. “PHOSPHORUS-CONTAINING N-METHYLENEAMINE TYPE COMPOUNDS - SYNTHESIS, STRUCTURE, AND REACTIVITY”. INORGANIC CHEMISTRY 33 (26): 6351-6356.
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1994 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1644234
DAVID, G, NIECKE, E, NIEGER, M, RADSECK, J, and Schoeller, Wolfgang. 1994. “DONOR STABILIZATION, TRANSFER-REACTIONS, AND BONDING PROPERTIES OF A METHYLENEDIYLPHOSPHENIUM ION”. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 116 (5): 2191-2192.
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1994 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1643798
Schoeller, Wolfgang, and BUSCH, T. 1994. “ELECTRONIC-STRUCTURE OF THE DISILENYL RADICAL-ANION”. JOURNAL OF PHYSICAL ORGANIC CHEMISTRY 7 (5): 251-255.
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1994 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1642571
DAVID, G, VONDERGONNA, V, NIECKE, E, BUSCH, T, Schoeller, Wolfgang, and RADEMACHER, P. 1994. “SPECTROSCOPIC INVESTIGATIONS ON IMINOPHOSPHANES AND METHYLENEPHOSPHANES”. JOURNAL OF THE CHEMICAL SOCIETY-FARADAY TRANSACTIONS 90 (18): 2611-2616.
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1994 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1643036
GUDAT, D, HOFFBAUER, W, NIECKE, E, Schoeller, Wolfgang, FLEISCHER, U, and KUTZELNIGG, W. 1994. “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 116 (16): 7325-7331.
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1994 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1644135
Schoeller, Wolfgang, and STRUTWOLF, J. 1994. “ON THE ELECTRONIC HYPERSURFACE OF THE METHYLENEPHOSPHENIUM CATION”. THEOCHEM-JOURNAL OF MOLECULAR STRUCTURE 111: 127-137.
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1994 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1897260
Vef, A, Manthe, Uwe, Gütlich, P, and Hauser, A. 1994. “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 101 (11): 9326-9332.
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1994 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1897265
Hammerich, AD, Manthe, Uwe, Kosloff, R, Meyer, HD, and Cederbaum, LS. 1994. “Time-dependent photodissociation of methyl iodide with five active modes”. JOURNAL OF CHEMICAL PHYSICS 101 (7): 5623-5646.
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1994 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1642096
NIECKE, E, FROST, M, NIEGER, M, VONDERGONNA, V, RUBAN, A, and Schoeller, Wolfgang. 1994. “MONOMERIC TRIS(IMINO)METAPHOSPHATES”. ANGEWANDTE CHEMIE-INTERNATIONAL EDITION IN ENGLISH 33 (20): 2111-2113.
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1994 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1897271
Manthe, Uwe, Seideman, T., and Miller, W. H. 1994. “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 101 (6): 4759-4768.
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1993 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1645358
Schoeller, Wolfgang. 1993. “SMALL RING CYCLOPHOSPHENES - A THEORETICAL EVALUATION OF BONDING PROPERTIES”. THEOCHEM-JOURNAL OF MOLECULAR STRUCTURE 103 (1-2): 61-66.
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1993 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1646420
NIECKE, E, DETSCH, R, NIEGER, M, REICHERT, F, and Schoeller, Wolfgang. 1993. “FROM COVALENT TO IONIC BONDING - SPONTANEOUS BOND-DISSOCIATION IN OXY-SUBSTITUTED IMINOPHOSPHANES”. BULLETIN DE LA SOCIETE CHIMIQUE DE FRANCE 130 (1): 25-31.
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1993 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1645864
Schoeller, Wolfgang, and BUSCH, T. 1993. “AZA-SUBSTITUTION VERSUS PHOSPHA-SUBSTITUTION IN CYCLOBUTADIENE - A THEORETICAL EVALUATION OF BONDING PROPERTIES”. ANGEWANDTE CHEMIE-INTERNATIONAL EDITION IN ENGLISH 32 (4): 617-619.
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1993 | Konferenzbeitrag | Veröffentlicht | PUB-ID: 1645157
Schoeller, Wolfgang, BUSCH, T, HAUG, W, and STRUTWOLF, J. 1993. “PHOSPHORUS IN STRAINED RING-SYSTEMS”, PHOSPHORUS SULFUR AND SILICON AND THE RELATED ELEMENTS, 77 (1-4): 645-648.
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1993 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1645486
DAVID, G, NIECKE, E, NIEGER, M, VONDERGONNA, V, and Schoeller, Wolfgang. 1993. “[N+2]-CYCLOADDITION REACTIONS OF THE (ARYLIMINO)PHOSPHENIUM ION, [PNAR]+ - KATIONIC PN HETEROCYCLES WITH UNUSUAL STRUCTURE AND BONDING SITUATION”. CHEMISCHE BERICHTE-RECUEIL 126 (7): 1513-1517.
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1993 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1897277
Manthe, Uwe, Seideman, T, and Miller, WH. 1993. “Full-dimensional quantum calculations of the rate constant for the HO+H2 -> H2O+H reaction”. JOURNAL OF CHEMICAL PHYSICS 99 (12): 10078-10081.
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1993 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1897284
Manthe, Uwe, and Hammerich, AD. 1993. “Wavepacket Dynamics in Five Dimensions: Photodissociation of Methyl Iodide”. CHEMICAL PHYSICS LETTERS 211 (1): 7-14.
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1993 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1646980
Schoeller, Wolfgang, STRUTWOLF, J, HAUG, W, and BUSCH, T. 1993. “ROTATIONAL BARRIER IN PHOSPHATRIAFULVENE - AN MCSCF STUDY”. JOURNAL OF COMPUTATIONAL CHEMISTRY 14 (1): 3-7.
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1993 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1644939
Schoeller, Wolfgang, HAUG, W, and STRUTWOLF, J. 1993. “ON THE ELECTRONIC HYPERSURFACE OF THE PHOSPHIRANYL CATION - A THEORETICAL-STUDY”. BULLETIN DE LA SOCIETE CHIMIQUE DE FRANCE 130 (5): 636-641.
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1993 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1897281
Manthe, Uwe, and Miller, WH. 1993. “The Cumulative Reaction Probability as Eigenvalue Problem”. JOURNAL OF CHEMICAL PHYSICS 99 (5): 3411-3419.
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1992 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1897287
Manthe, Uwe, Meyer, HD, and Cederbaum, LS. 1992. “Multiconfigurational time-dependent Hartree study of complex dynamics: Photodissociation of NO2”. JOURNAL OF CHEMICAL PHYSICS 97 (12): 9062-9071.
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1992 | Sammelwerksbeitrag | Veröffentlicht | PUB-ID: 1897838
H.-D., Meyer, Manthe, Uwe, J., Kucar, and L. S., Cederbaum. 1992. “Approximate methods for time evolution of wave packets”. In Time-dependent Quantum Molecular Dynamics, ed. Broeckhove J. and Lathouwers L., 223. New York: Plenum Press.
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1992 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1647965
DETSCH, R, NIECKE, E, NIEGER, M, and Schoeller, Wolfgang. 1992. “MONOMER AND DIMER 1,3-DIAZA-2-PHOSPHAALLYLLITHIUM COMPLEXES - STRUCTURES AND AMBIDENT REACTIVITY”. CHEMISCHE BERICHTE-RECUEIL 125 (5): 1119-1124.
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1992 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1647877
Schoeller, Wolfgang, and BUSCH, T. 1992. “BIS(METHYLENE)PHOSPHORANE AND RELATED-COMPOUNDS - ELECTROCYCLIZATION TO RING-SYSTEMS”. CHEMISCHE BERICHTE-RECUEIL 125 (6): 1319-1323.
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1992 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1897291
Manthe, Uwe, Meyer, HD, and Cederbaum, LS. 1992. “Wave-packet dynamics within the multiconfigurational Hartree framework: General aspects and application to NOCl”. JOURNAL OF CHEMICAL PHYSICS 97 (5): 3199-3213.
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1992 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1647154
BUSCH, T, and Schoeller, Wolfgang. 1992. “BRIDGING IN P2R CATIONS”. CHEMICAL PHYSICS LETTERS 200 (1-2): 26-34.
PUB | DOI | WoS
 
1992 | Sammelwerksbeitrag | Veröffentlicht | PUB-ID: 1897846
H., Köppel, and Manthe, Uwe. 1992. “Femtosecond wave-packet dynamics on strongly coupled potential energy surfaces”. In Time-dependent Quantum Molecular Dynamics, ed. Broeckhove J. and Lathouwers L., 83. New York: Plenum Press.
PUB
 
1991 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1897299
Manthe, Uwe, and Köppel, H. 1991. “Three-dimensional wave-packet dynamics on vibronically coupled dissociative potential energy surfaces”. CHEMICAL PHYSICS LETTERS 178 (1): 36-42.
PUB | DOI | WoS
 
1991 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1649855
Schoeller, Wolfgang, and BUSCH, T. 1991. “SUBSTITUENT EFFECTS ON FOLDING IN CYCLOTETRAPHOSPHANE”. CHEMISCHE BERICHTE 124 (6): 1369-1371.
PUB | DOI | WoS
 
1991 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1650167
Schoeller, Wolfgang, NIEMANN, J, THIELE, R, and HAUG, W. 1991. “ELECTROCHEMICAL INVESTIGATIONS ON METHYLENEPHOSPHINES AND RELATED SYSTEMS”. CHEMISCHE BERICHTE 124 (3): 417-421.
PUB | DOI | WoS
 
1991 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1629803
FUCHS, E, BREIT, B, HEYDT, H, Schoeller, Wolfgang, BUSCH, T, KRUGER, C, BETZ, P, and REGITZ, M. 1991. “ORGANOPHOSPHORUS COMPOUNDS .51. PHOSPHATRIAFULVENES - PHOSPHAALKENES WITH INVERSE ELECTRON-DENSITY”. CHEMISCHE BERICHTE-RECUEIL 124 (12): 2843-2855.
PUB | DOI | WoS
 
1991 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1649671
NIEMANN, J, Schoeller, Wolfgang, VONDERGONNA, V, and NIECKE, E. 1991. “REDOX PROPERTIES OF DIPHOSPHANES”. CHEMISCHE BERICHTE 124 (7): 1563-1565.
PUB | DOI | WoS
 
1991 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1650298
Schoeller, Wolfgang, WELZ, U, HAUG, W, and BUSCH, T. 1991. “ON THE ELECTRONIC-STRUCTURE OF PHOSPHABUTATRIENE AND RELATED PHOSPHACUMULENES - A THEORETICAL-STUDY”. CHEMISCHE BERICHTE 124 (2): 271-274.
PUB | DOI | WoS
 
1991 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1897295
Manthe, Uwe, Köppel, H, and Cederbaum, LS. 1991. “Dissociation and predissociation on coupled electronic potential energy surfaces: A three-dimensional wave packet dynamical study”. JOURNAL OF CHEMICAL PHYSICS 95 (3): 1708-1720.
PUB | DOI | WoS
 
1990 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2357066
Anselmetti, Dario, GEISER, V, BRODBECK, D, OVERNEY, G, WIESENDANGER, R, and GÜNTHERODT, HJ. 1990. “HEXAGONAL AND NONHEXAGONAL SUPERLATTICE STRUCTURES ON STAGE-1 ALKALI-METAL GRAPHITE-INTERCALATION COMPOUNDS STUDIED BY SCANNING TUNNELING MICROSCOPY”. Synthetic Metals 38 (2): 157-167.
PUB | DOI | WoS
 
1990 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1897302
Spiering, H, Alflen, M, Gütlich, P, Hauser, A, Hennen, C, Manthe, Uwe, and Tuzek, F. 1990. “Advances in Mössbauer Emission-Spectroscopy”. HYPERFINE INTERACTIONS 53 (1-4): 113-141.
PUB
 
1990 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1651021
Schoeller, Wolfgang, BUSCH, T, and NIECKE, E. 1990. “SIGMA-PUSH-PULL SUBSTITUTION IN IMINOPHOSPHANES, A THEORETICAL-STUDY”. CHEMISCHE BERICHTE 123 (8): 1653-1654.
PUB | DOI | WoS
 
1990 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1651492
Schoeller, Wolfgang, and BUSCH, T. 1990. “DIPHOSPHINONITRENIUM AND DIPHOSPHENIUM CATIONS, JAHN-TELLER DISTORTED ALLYL SYSTEMS”. CHEMISCHE BERICHTE 123 (5): 971-973.
PUB | DOI | WoS
 
1990 | Konferenzbeitrag | Veröffentlicht | PUB-ID: 1651275
Schoeller, Wolfgang, BUSCH, T, and HAUG, W. 1990. “SUBSTITUENT EFFECTS ON GEOMETRIES OF IMINOPHOSPHANES AND DISPHOSPHENES - THE EFFECT OF SIGMA-PUSH-PULL SUBSTITUTION”, PHOSPHORUS SULFUR AND SILICON AND THE RELATED ELEMENTS, 49 (1-4): 285-288.
PUB | DOI | WoS
 
1990 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1897316
Meyer, HD, Manthe, Uwe, and Cederbaum, LS. 1990. “The multi-configurational time-dependent Hartree approach”. CHEMICAL PHYSICS LETTERS 165 (1): 73-78.
PUB | DOI | WoS
 
1990 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1897310
Manthe, Uwe, and Köppel, H. 1990. “Dynamics on potential energy surfaces with a conical intersection: Adiabatic, intermediate, and diabatic behavior”. JOURNAL OF CHEMICAL PHYSICS 93 (3): 1658-1669.
PUB | DOI | WoS
 
1990 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1897313
Manthe, Uwe, and Köppel, H. 1990. “New method for calculating wave packet dynamics: Strongly coupled surfaces and the adiabatic basis”. JOURNAL OF CHEMICAL PHYSICS 93 (1): 345-356.
PUB | DOI | WoS
 
1989 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1652173
Schoeller, Wolfgang, and NIEMANN, J. 1989. “BONDING IN THE TRISMETHYLENEMETAPHOSPHATE ANION AND RELATED-COMPOUNDS - PYRAMIDALIZATION AT PHOSPHORUS, THEORETICAL AND EXPERIMENTAL INVESTIGATIONS”. PHOSPHORUS SULFUR AND SILICON AND THE RELATED ELEMENTS 46 (1-2): 47-59.
PUB | WoS
 
1989 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1652560
BUSCH, T, and Schoeller, Wolfgang. 1989. “CYCLIC AND LINEAR ANALOGS OF N2O - THEORETICAL EVALUATION OF BONDING PROPERTIES”. ZEITSCHRIFT FUR PHYSIK D-ATOMS MOLECULES AND CLUSTERS 13 (4): 289-294.
PUB | DOI | WoS
 
1989 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1652276
BUSCH, T, Schoeller, Wolfgang, NIECKE, E, NIEGER, M, and WESTERMANN, H. 1989. “UNUSUAL BONDING IN A MAIN-GROUP MULTIPLE-BONDED SYSTEM - UMBRELLA-SHAPED DIPHOSPHENES”. INORGANIC CHEMISTRY 28 (24): 4334-4340.
PUB | DOI | WoS
 
1989 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1652689
GUTH, W, BUSCH, T, Schoeller, Wolfgang, NIECKE, E, KREBS, B, DARTMANN, M, and RADEMACHER, P. 1989. “A CYCLIC 1.2-DIPHOSPHA-1.3-DIENE - SYNTHESIS, CRYSTAL-STRUCTURE AND BONDING PROPERTIES”. NEW JOURNAL OF CHEMISTRY 13 (4-5): 309-313.
PUB | WoS
 
1989 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1652383
FUCHS, EPO, HEYDT, H, REGITZ, M, Schoeller, Wolfgang, and BUSCH, T. 1989. “UNUSUALLY COORDINATED PHOSPHORUS-COMPOUNDS .39. PHOSPHATRIAFULVENES - PHOSPHAALKENES WITH INVERSE ELECTRON-DENSITY”. TETRAHEDRON LETTERS 30 (38): 5111-5114.
PUB | DOI | WoS
 
1989 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1653230
Schoeller, Wolfgang, and BUSCH, T. 1989. “BIS-SILANEDIYLPHOSPHORANE VERSUS BIS-METHYLENEPHOSPHORANE - A THEORETICAL-STUDY”. JOURNAL OF THE CHEMICAL SOCIETY-CHEMICAL COMMUNICATIONS, no. 4: 234-236.
PUB | DOI | WoS
 
1988 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1653666
Knoche, Wilhelm, Schoeller, Wolfgang, SCHOMACKER, R, and VOGEL, S. 1988. “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 110 (22): 7484-7489.
PUB | DOI | WoS
 
1988 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1654457
Schoeller, Wolfgang, NIEMANN, J, and RADEMACHER, P. 1988. “ON THE ELECTROCHEMICAL OXIDATION OF ENAMINES”. JOURNAL OF THE CHEMICAL SOCIETY-PERKIN TRANSACTIONS 2, no. 3: 369-373.
PUB | DOI | WoS
 
1988 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1653372
NIECKE, E, NIEGER, M, REICHERT, F, and Schoeller, Wolfgang. 1988. “SYNTHESIS, STRUCTURE AND BONDING IN THE DONOR-ACCEPTOR COMPLEX [TERTBU2PSE2].[PNARYL] - EN ROUTE TO THE P=N BOND”. ANGEWANDTE CHEMIE-INTERNATIONAL EDITION IN ENGLISH 27 (12): 1713-1714.
PUB | DOI | WoS
 
1987 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1655310
Schoeller, Wolfgang, and NIEMANN, J. 1987. “ON THE POTENTIAL HYPERSURFACE OF THE DICATION OF CYCLOTETRAPHOSPHANE”. THEOCHEM-JOURNAL OF MOLECULAR STRUCTURE 37 (1-2): 145-154.
PUB | WoS
 
1987 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1655651
Schoeller, Wolfgang, and DABISCH, T. 1987. “BONDING IN CYCLOSILANES - EFFECT OF ORBITAL NONHYBRIDIZATION”. INORGANIC CHEMISTRY 26 (7): 1081-1086.
PUB | DOI | WoS
 
1987 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1655568
LERCH, C, NIEMANN, J, and Schoeller, Wolfgang. 1987. “BISMETHYLENEPHOSPHORANE AND TRISMETHYLENEPHOSPHORANE - EXPERIMENTAL AND THEORETICAL EVALUATION OF BONDING PROPERTIES”. PHOSPHORUS SULFUR AND SILICON AND THE RELATED ELEMENTS 30 (1-2): 503-506.
PUB | DOI | WoS
 
1987 | Kurzbeitrag Konferenz / Poster | Veröffentlicht | PUB-ID: 1655587
NIEMANN, J, and Schoeller, Wolfgang. 1987. “ON THE REDOX PROPERTIES OF CYCLOPHOSPHANES”, PHOSPHORUS SULFUR AND SILICON AND THE RELATED ELEMENTS, 30 (3-4): 803-803.
PUB | DOI | WoS
 
1987 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1654656
Schoeller, Wolfgang, DABISCH, T, and BUSCH, T. 1987. “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 26 (26): 4383-4389.
PUB | DOI | WoS
 

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