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401 Publikationen

1998 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1897234
U. Manthe and F. Matzkies, “Quantum calculations of thermal rate constants and reaction probabilities: H2+CN -> H+HCN”, CHEMICAL PHYSICS LETTERS, vol. 282, 1998, pp. 442-449.
PUB | DOI | WoS
 
1998 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1897219
T. Gerdts and U. Manthe, “A microscopic description of dissipation in systems with strong vibronic coupling: the S1 and S2 absorption spectra of pyrazine”, CHEMICAL PHYSICS LETTERS, vol. 295, 1998, pp. 167-174.
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1998 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1897226
L. Pesce, et al., “Variational wave packet method for dissipative photodesorption problems”, CHEMICAL PHYSICS LETTERS, vol. 288, 1998, pp. 383-390.
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1998 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1897231
F. Matzkies and U. Manthe, “Accurate quantum calculations of thermal rate constants employing MCTDH: H2+OH -> H+H2O and D2+OH -> D+DOH”, JOURNAL OF CHEMICAL PHYSICS, vol. 108, 1998, pp. 4828-4836.
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1998 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1626181
Y. Canac, et al., “Isolation of a benzene valence isomer with one-electron phosphorus-phosphorus bonds”, SCIENCE, vol. 279, 1998, pp. 2080-2082.
PUB | DOI | WoS | PubMed | Europe PMC
 
1998 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1624798
U. Siemeling, et al., “Benefits of the chelate effect: Preparation of an unsymmetrical ansa-bis(imido)molybdenum complex containing a seven-membered chelate ring”, INORGANIC CHEMISTRY, vol. 37, 1998, pp. 4738-4739.
PUB | DOI | WoS | PubMed | Europe PMC
 
1998 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1625246
W. Schoeller and U. Tubbesing, “The electronic structure of the tris(diaminophosphanyl)carbenium ion. A quantum chemical investigation”, INORGANIC CHEMISTRY, vol. 37, 1998, pp. 3183-3185.
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1997 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1897237
T. Gerdts and U. Manthe, “The resonance Raman spectrum of CH3I: An application of the MCTDH approach”, JOURNAL OF CHEMICAL PHYSICS, vol. 107, 1997, pp. 6584-6593.
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1997 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1627961
W. Schoeller and R. Schneider, “Donor complexes of silylene, germylene, and stannylene”, CHEMISCHE BERICHTE-RECUEIL, vol. 130, 1997, pp. 1013-1020.
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1997 | Bielefelder E-Dissertation | PUB-ID: 2305135
M. Rosenberger, Zeitabhängige Formulierung des Mehr-Elektronen-Problems in Atomen, Bielefeld (Germany): Bielefeld University, 1997.
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1997 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1627676
Y. Canac, et al., “A room temperature stable 1,3-diphosphaallyl radical”, JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, vol. 119, 1997, pp. 7579-7580.
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1997 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1626692
H.P. Schrodel, et al., “An ylide-substituted tetraphosphene, cyclotetraphosphane, and bicyclotetraphosphane”, CHEMISCHE BERICHTE-RECUEIL, vol. 130, 1997, pp. 1801-1805.
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1997 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1626328
J. Strutwolf and W. Schoeller, “Digital simulation of potential step experiments using the extrapolation method”, ELECTROANALYSIS, vol. 9, 1997, pp. 1403-1408.
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1997 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1897240
T. Gerdts and U. Manthe, “A wave packet approach to the Liouville-von Neumann equation for dissipative systems”, JOURNAL OF CHEMICAL PHYSICS, vol. 106, 1997, pp. 3017-3023.
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1997 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1897243
F. Matzkies and U. Manthe, “A multi-configurational time-dependent Hartree approach to the direct calculation of thermal rate constants”, JOURNAL OF CHEMICAL PHYSICS, vol. 106, 1997, pp. 2646-2653.
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1997 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1627292
D. Andrae, “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, vol. 30, 1997, pp. 4435-4451.
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1997 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1637328
D. Andrae and J. Hinze, “Numerical electronic structure calculations for atoms .1. Generalized variable transformation and nonrelativistic calculations”, INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, vol. 63, 1997, pp. 65-91.
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1996 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1897251
R.F. Salzgeber, et al., “Improved L(2)-stabilization theory to compute resonances under multichannel conditions”, CHEMICAL PHYSICS LETTERS, vol. 249, 1996, pp. 237-243.
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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.
PUB | DOI | WoS
 
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.
PUB | DOI | WoS
 
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.
PUB | DOI | WoS
 
1995 | Bielefelder E-Dissertation | PUB-ID: 2306251
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.
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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.
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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: 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.
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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: 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: 1641856
C. GALLIOT, et al., “PHOSPHORUS-CONTAINING N-METHYLENEAMINE TYPE COMPOUNDS - SYNTHESIS, STRUCTURE, AND REACTIVITY”, INORGANIC CHEMISTRY, vol. 33, 1994, pp. 6351-6356.
PUB | DOI | WoS
 
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: 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: 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.
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.
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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: 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 | 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 | 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.
PUB | DOI | WoS
 
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.
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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.
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.
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: 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: 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.
PUB | 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
 
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
 
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
 

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