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401 Publikationen

1998 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1897234
Manthe, U., & Matzkies, F., 1998. Quantum calculations of thermal rate constants and reaction probabilities: H2+CN -> H+HCN. CHEMICAL PHYSICS LETTERS, 282(5-6), p 442-449.
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1998 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1897219
Gerdts, T., & Manthe, U., 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), p 167-174.
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1998 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1897226
Pesce, L., et al., 1998. Variational wave packet method for dissipative photodesorption problems. CHEMICAL PHYSICS LETTERS, 288(2-4), p 383-390.
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1998 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1897231
Matzkies, F., & Manthe, U., 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), p 4828-4836.
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1998 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1626181
Canac, Y., et al., 1998. Isolation of a benzene valence isomer with one-electron phosphorus-phosphorus bonds. SCIENCE, 279(5359), p 2080-2082.
PUB | DOI | WoS | PubMed | Europe PMC
 
1998 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1624798
Siemeling, U., et al., 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), p 4738-4739.
PUB | DOI | WoS | PubMed | Europe PMC
 
1998 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1625246
Schoeller, W., & Tubbesing, U., 1998. The electronic structure of the tris(diaminophosphanyl)carbenium ion. A quantum chemical investigation. INORGANIC CHEMISTRY, 37(13), p 3183-3185.
PUB | DOI | WoS
 
1997 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1897237
Gerdts, T., & Manthe, U., 1997. The resonance Raman spectrum of CH3I: An application of the MCTDH approach. JOURNAL OF CHEMICAL PHYSICS, 107(17), p 6584-6593.
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1997 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1627961
Schoeller, W., & Schneider, R., 1997. Donor complexes of silylene, germylene, and stannylene. CHEMISCHE BERICHTE-RECUEIL, 130(7), p 1013-1020.
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1997 | Bielefelder E-Dissertation | PUB-ID: 2305135
Rosenberger, M., 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: 1626692
Schrodel, H.P., et al., 1997. An ylide-substituted tetraphosphene, cyclotetraphosphane, and bicyclotetraphosphane. CHEMISCHE BERICHTE-RECUEIL, 130(12), p 1801-1805.
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1997 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1627676
Canac, Y., et al., 1997. A room temperature stable 1,3-diphosphaallyl radical. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 119(32), p 7579-7580.
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1997 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1626328
Strutwolf, J., & Schoeller, W., 1997. Digital simulation of potential step experiments using the extrapolation method. ELECTROANALYSIS, 9(18), p 1403-1408.
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1997 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1897240
Gerdts, T., & Manthe, U., 1997. A wave packet approach to the Liouville-von Neumann equation for dissipative systems. JOURNAL OF CHEMICAL PHYSICS, 106(8), p 3017-3023.
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1997 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1897243
Matzkies, F., & Manthe, U., 1997. A multi-configurational time-dependent Hartree approach to the direct calculation of thermal rate constants. JOURNAL OF CHEMICAL PHYSICS, 106(7), p 2646-2653.
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1997 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1627292
Andrae, D., 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), p 4435-4451.
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1997 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1637328
Andrae, D., & Hinze, J., 1997. Numerical electronic structure calculations for atoms .1. Generalized variable transformation and nonrelativistic calculations. INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 63(1), p 65-91.
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1996 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1897251
Salzgeber, R.F., et al., 1996. Improved L(2)-stabilization theory to compute resonances under multichannel conditions. CHEMICAL PHYSICS LETTERS, 249(3-4), p 237-243.
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1996 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1628697
Thelen, V., et al., 1996. Synthesis, structure, and reactivity of a 2,3,4-triphosphapentadienide. ANGEWANDTE CHEMIE-INTERNATIONAL EDITION IN ENGLISH, 35(3), p 313-315.
PUB | DOI | WoS
 
1996 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1639471
Alcaraz, G., et al., 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), p 2458-2462.
PUB | DOI | WoS | PubMed | Europe PMC
 
1996 | Konferenzbeitrag | Veröffentlicht | PUB-ID: 1638493
Schoeller, W., Strutwolf, J., & 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), p 674-674.
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1996 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1639066
Schoeller, W., & 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), p 419-425.
PUB | DOI | WoS
 
1996 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1628932
Alcaraz, G., et al., 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), p 1060-1065.
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1996 | Konferenzbeitrag | Veröffentlicht | PUB-ID: 1638490
Schoeller, W., & 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), p 673-673.
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1996 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1628422
Strutwolf, J., & Schoeller, W., 1996. Linear and cyclic sweep voltammetry at a rotating disk electrode. A digital simulation. ELECTROANALYSIS, 8(11), p 1034-1039.
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1996 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1897246
Manthe, U., 1996. A time-dependent discrete variable representation for (multiconfiguration) Hartree methods. JOURNAL OF CHEMICAL PHYSICS, 105(16), p 6989-6994.
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1996 | Konferenzbeitrag | Veröffentlicht | PUB-ID: 1897793
Manthe, U., 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 C. M., ed. Femtochemistry: Ultrafast Chemical and Physical Processes in Molecular Systems. Singapore: World Scientific Publishing, pp. 90.
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1996 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1897248
Manthe, U., & 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), p 71-76.
PUB | DOI | WoS
 
1996 | Konferenzbeitrag | Veröffentlicht | PUB-ID: 1638204
Schoeller, W., et al., 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), p 101-104.
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1996 | Konferenzbeitrag | Veröffentlicht | PUB-ID: 1638209
Niecke, E., et al., 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), p 613-616.
PUB | DOI | WoS
 
1996 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1639122
Schoeller, W., et al., 1996. The phospha-2-allyl-system: Electrochemical and quantum chemical investigations. JOURNAL OF THE CHEMICAL SOCIETY-FARADAY TRANSACTIONS, 92(10), p 1751-1755.
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1995 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1897256
Manthe, U., 1995. Calculation of initial state-selected reaction probabilities by a minimal number of wavepackets. CHEMICAL PHYSICS LETTERS, 241(5-6), p 497-501.
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1995 | Bielefelder E-Dissertation | PUB-ID: 2306251
Stiehler, J., 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, W., & TUBBESING, U., 1995. RELATIVE CATION VERSUS ANION STABILITIES OF LOW-COORDINATED P(III)PI-BONDED PHOSPHORUS-COMPOUNDS. THEOCHEM-JOURNAL OF MOLECULAR STRUCTURE, 343, p 49-55.
PUB | DOI | WoS
 
1995 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1629283
Schoeller, W., GOETTE, B., & TUBBESING, U., 1995. ELECTRONIC-STRUCTURE OF THE 1,3-DIPHOSPHETANE. JOURNAL OF PHYSICAL ORGANIC CHEMISTRY, 8(11), p 742-746.
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1995 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1641265
Schoeller, W., 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), p 225-229.
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1995 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1641557
Schoeller, W., et al., 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), p 2329-2334.
PUB | DOI | WoS
 
1995 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1640051
NIECKE, E., et al., 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), p 1849-1852.
PUB | DOI | WoS
 
1995 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1641357
NIECKE, E., et al., 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), p 555-557.
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1995 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1897258
Manthe, U., 1995. A new time-dependent approach to the direct calculation of reaction rates. JOURNAL OF CHEMICAL PHYSICS, 102(23), p 9205-9213.
PUB | DOI | WoS
 
1995 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1640583
Schoeller, W., 1995. VINYLIDENECARBENOID - THE IMPORTANCE OF SOLVATION AND ELECTRON CORRELATION-EFFECTS ON ITS STRUCTURE. CHEMICAL PHYSICS LETTERS, 241(1-2), p 21-25.
PUB | DOI | WoS
 
1995 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1641125
Schoeller, W., STRUTWOLF, J., & 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), p 249-260.
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1994 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1897275
Manthe, U., 1994. Comment on: A multiconfiguration time-dependent Hartree approximation based on natural single particle states. JOURNAL OF CHEMICAL PHYSICS, 101(3), p 2652-2653.
PUB | DOI | WoS
 
1994 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1642373
Schoeller, W., & 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), p 27-40.
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1994 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1641856
GALLIOT, C., et al., 1994. PHOSPHORUS-CONTAINING N-METHYLENEAMINE TYPE COMPOUNDS - SYNTHESIS, STRUCTURE, AND REACTIVITY. INORGANIC CHEMISTRY, 33(26), p 6351-6356.
PUB | DOI | WoS
 
1994 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1644234
DAVID, G., et al., 1994. DONOR STABILIZATION, TRANSFER-REACTIONS, AND BONDING PROPERTIES OF A METHYLENEDIYLPHOSPHENIUM ION. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 116(5), p 2191-2192.
PUB | DOI | WoS
 
1994 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1643798
Schoeller, W., & BUSCH, T., 1994. ELECTRONIC-STRUCTURE OF THE DISILENYL RADICAL-ANION. JOURNAL OF PHYSICAL ORGANIC CHEMISTRY, 7(5), p 251-255.
PUB | DOI | WoS
 
1994 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1642571
DAVID, G., et al., 1994. SPECTROSCOPIC INVESTIGATIONS ON IMINOPHOSPHANES AND METHYLENEPHOSPHANES. JOURNAL OF THE CHEMICAL SOCIETY-FARADAY TRANSACTIONS, 90(18), p 2611-2616.
PUB | DOI | WoS
 
1994 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1643036
GUDAT, D., et al., 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), p 7325-7331.
PUB | DOI | WoS
 
1994 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1644135
Schoeller, W., & STRUTWOLF, J., 1994. ON THE ELECTRONIC HYPERSURFACE OF THE METHYLENEPHOSPHENIUM CATION. THEOCHEM-JOURNAL OF MOLECULAR STRUCTURE, 111, p 127-137.
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1994 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1897260
Vef, A., et al., 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), p 9326-9332.
PUB | DOI | WoS
 
1994 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1897265
Hammerich, A.D., et al., 1994. Time-dependent photodissociation of methyl iodide with five active modes. JOURNAL OF CHEMICAL PHYSICS, 101(7), p 5623-5646.
PUB | DOI | WoS
 
1994 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1642096
NIECKE, E., et al., 1994. MONOMERIC TRIS(IMINO)METAPHOSPHATES. ANGEWANDTE CHEMIE-INTERNATIONAL EDITION IN ENGLISH, 33(20), p 2111-2113.
PUB | DOI | WoS
 
1994 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1897271
Manthe, U., Seideman, T., & 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), p 4759-4768.
PUB | DOI | WoS
 
1993 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1645358
Schoeller, W., 1993. SMALL RING CYCLOPHOSPHENES - A THEORETICAL EVALUATION OF BONDING PROPERTIES. THEOCHEM-JOURNAL OF MOLECULAR STRUCTURE, 103(1-2), p 61-66.
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1993 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1646420
NIECKE, E., et al., 1993. FROM COVALENT TO IONIC BONDING - SPONTANEOUS BOND-DISSOCIATION IN OXY-SUBSTITUTED IMINOPHOSPHANES. BULLETIN DE LA SOCIETE CHIMIQUE DE FRANCE, 130(1), p 25-31.
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1993 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1645864
Schoeller, W., & BUSCH, T., 1993. AZA-SUBSTITUTION VERSUS PHOSPHA-SUBSTITUTION IN CYCLOBUTADIENE - A THEORETICAL EVALUATION OF BONDING PROPERTIES. ANGEWANDTE CHEMIE-INTERNATIONAL EDITION IN ENGLISH, 32(4), p 617-619.
PUB | DOI | WoS
 
1993 | Konferenzbeitrag | Veröffentlicht | PUB-ID: 1645157
Schoeller, W., et al., 1993. PHOSPHORUS IN STRAINED RING-SYSTEMS. PHOSPHORUS SULFUR AND SILICON AND THE RELATED ELEMENTS, 77(1-4), p 645-648.
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1993 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1645486
DAVID, G., et al., 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), p 1513-1517.
PUB | DOI | WoS
 
1993 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1897277
Manthe, U., Seideman, T., & Miller, W.H., 1993. Full-dimensional quantum calculations of the rate constant for the HO+H2 -> H2O+H reaction. JOURNAL OF CHEMICAL PHYSICS, 99(12), p 10078-10081.
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1993 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1897284
Manthe, U., & Hammerich, A.D., 1993. Wavepacket Dynamics in Five Dimensions: Photodissociation of Methyl Iodide. CHEMICAL PHYSICS LETTERS, 211(1), p 7-14.
PUB | DOI | WoS
 
1993 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1646980
Schoeller, W., et al., 1993. ROTATIONAL BARRIER IN PHOSPHATRIAFULVENE - AN MCSCF STUDY. JOURNAL OF COMPUTATIONAL CHEMISTRY, 14(1), p 3-7.
PUB | DOI | WoS
 
1993 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1644939
Schoeller, W., HAUG, W., & STRUTWOLF, J., 1993. ON THE ELECTRONIC HYPERSURFACE OF THE PHOSPHIRANYL CATION - A THEORETICAL-STUDY. BULLETIN DE LA SOCIETE CHIMIQUE DE FRANCE, 130(5), p 636-641.
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1993 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1897281
Manthe, U., & Miller, W.H., 1993. The Cumulative Reaction Probability as Eigenvalue Problem. JOURNAL OF CHEMICAL PHYSICS, 99(5), p 3411-3419.
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1992 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1897287
Manthe, U., Meyer, H.D., & Cederbaum, L.S., 1992. Multiconfigurational time-dependent Hartree study of complex dynamics: Photodissociation of NO2. JOURNAL OF CHEMICAL PHYSICS, 97(12), p 9062-9071.
PUB | DOI | WoS
 
1992 | Sammelwerksbeitrag | Veröffentlicht | PUB-ID: 1897838
H.-D., M., et al., 1992. Approximate methods for time evolution of wave packets. In B. J. & L. L., eds. Time-dependent Quantum Molecular Dynamics. New York: Plenum Press, pp. 223.
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1992 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1647965
DETSCH, R., et al., 1992. MONOMER AND DIMER 1,3-DIAZA-2-PHOSPHAALLYLLITHIUM COMPLEXES - STRUCTURES AND AMBIDENT REACTIVITY. CHEMISCHE BERICHTE-RECUEIL, 125(5), p 1119-1124.
PUB | DOI | WoS
 
1992 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1647877
Schoeller, W., & BUSCH, T., 1992. BIS(METHYLENE)PHOSPHORANE AND RELATED-COMPOUNDS - ELECTROCYCLIZATION TO RING-SYSTEMS. CHEMISCHE BERICHTE-RECUEIL, 125(6), p 1319-1323.
PUB | DOI | WoS
 
1992 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1897291
Manthe, U., Meyer, H.D., & Cederbaum, L.S., 1992. Wave-packet dynamics within the multiconfigurational Hartree framework: General aspects and application to NOCl. JOURNAL OF CHEMICAL PHYSICS, 97(5), p 3199-3213.
PUB | DOI | WoS
 
1992 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1647154
BUSCH, T., & Schoeller, W., 1992. BRIDGING IN P2R CATIONS. CHEMICAL PHYSICS LETTERS, 200(1-2), p 26-34.
PUB | DOI | WoS
 
1992 | Sammelwerksbeitrag | Veröffentlicht | PUB-ID: 1897846
H., K., & Manthe, U., 1992. Femtosecond wave-packet dynamics on strongly coupled potential energy surfaces. In B. J. & L. L., eds. Time-dependent Quantum Molecular Dynamics. New York: Plenum Press, pp. 83.
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1991 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1897299
Manthe, U., & Köppel, H., 1991. Three-dimensional wave-packet dynamics on vibronically coupled dissociative potential energy surfaces. CHEMICAL PHYSICS LETTERS, 178(1), p 36-42.
PUB | DOI | WoS
 
1991 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1649855
Schoeller, W., & BUSCH, T., 1991. SUBSTITUENT EFFECTS ON FOLDING IN CYCLOTETRAPHOSPHANE. CHEMISCHE BERICHTE, 124(6), p 1369-1371.
PUB | DOI | WoS
 
1991 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1650167
Schoeller, W., et al., 1991. ELECTROCHEMICAL INVESTIGATIONS ON METHYLENEPHOSPHINES AND RELATED SYSTEMS. CHEMISCHE BERICHTE, 124(3), p 417-421.
PUB | DOI | WoS
 
1991 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1629803
FUCHS, E., et al., 1991. ORGANOPHOSPHORUS COMPOUNDS .51. PHOSPHATRIAFULVENES - PHOSPHAALKENES WITH INVERSE ELECTRON-DENSITY. CHEMISCHE BERICHTE-RECUEIL, 124(12), p 2843-2855.
PUB | DOI | WoS
 
1991 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1649671
NIEMANN, J., et al., 1991. REDOX PROPERTIES OF DIPHOSPHANES. CHEMISCHE BERICHTE, 124(7), p 1563-1565.
PUB | DOI | WoS
 
1991 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1650298
Schoeller, W., et al., 1991. ON THE ELECTRONIC-STRUCTURE OF PHOSPHABUTATRIENE AND RELATED PHOSPHACUMULENES - A THEORETICAL-STUDY. CHEMISCHE BERICHTE, 124(2), p 271-274.
PUB | DOI | WoS
 
1991 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1897295
Manthe, U., Köppel, H., & Cederbaum, L.S., 1991. Dissociation and predissociation on coupled electronic potential energy surfaces: A three-dimensional wave packet dynamical study. JOURNAL OF CHEMICAL PHYSICS, 95(3), p 1708-1720.
PUB | DOI | WoS
 
1990 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2357066
Anselmetti, D., et al., 1990. HEXAGONAL AND NONHEXAGONAL SUPERLATTICE STRUCTURES ON STAGE-1 ALKALI-METAL GRAPHITE-INTERCALATION COMPOUNDS STUDIED BY SCANNING TUNNELING MICROSCOPY. Synthetic Metals, 38(2), p 157-167.
PUB | DOI | WoS
 
1990 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1897302
Spiering, H., et al., 1990. Advances in Mössbauer Emission-Spectroscopy. HYPERFINE INTERACTIONS, 53(1-4), p 113-141.
PUB
 
1990 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1651021
Schoeller, W., BUSCH, T., & NIECKE, E., 1990. SIGMA-PUSH-PULL SUBSTITUTION IN IMINOPHOSPHANES, A THEORETICAL-STUDY. CHEMISCHE BERICHTE, 123(8), p 1653-1654.
PUB | DOI | WoS
 
1990 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1651492
Schoeller, W., & BUSCH, T., 1990. DIPHOSPHINONITRENIUM AND DIPHOSPHENIUM CATIONS, JAHN-TELLER DISTORTED ALLYL SYSTEMS. CHEMISCHE BERICHTE, 123(5), p 971-973.
PUB | DOI | WoS
 
1990 | Konferenzbeitrag | Veröffentlicht | PUB-ID: 1651275
Schoeller, W., BUSCH, T., & 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), p 285-288.
PUB | DOI | WoS
 
1990 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1897316
Meyer, H.D., Manthe, U., & Cederbaum, L.S., 1990. The multi-configurational time-dependent Hartree approach. CHEMICAL PHYSICS LETTERS, 165(1), p 73-78.
PUB | DOI | WoS
 
1990 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1897310
Manthe, U., & Köppel, H., 1990. Dynamics on potential energy surfaces with a conical intersection: Adiabatic, intermediate, and diabatic behavior. JOURNAL OF CHEMICAL PHYSICS, 93(3), p 1658-1669.
PUB | DOI | WoS
 
1990 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1897313
Manthe, U., & Köppel, H., 1990. New method for calculating wave packet dynamics: Strongly coupled surfaces and the adiabatic basis. JOURNAL OF CHEMICAL PHYSICS, 93(1), p 345-356.
PUB | DOI | WoS
 
1989 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1652173
Schoeller, W., & 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), p 47-59.
PUB | WoS
 
1989 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1652560
BUSCH, T., & Schoeller, W., 1989. CYCLIC AND LINEAR ANALOGS OF N2O - THEORETICAL EVALUATION OF BONDING PROPERTIES. ZEITSCHRIFT FUR PHYSIK D-ATOMS MOLECULES AND CLUSTERS, 13(4), p 289-294.
PUB | DOI | WoS
 
1989 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1652276
BUSCH, T., et al., 1989. UNUSUAL BONDING IN A MAIN-GROUP MULTIPLE-BONDED SYSTEM - UMBRELLA-SHAPED DIPHOSPHENES. INORGANIC CHEMISTRY, 28(24), p 4334-4340.
PUB | DOI | WoS
 
1989 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1652689
GUTH, W., et al., 1989. A CYCLIC 1.2-DIPHOSPHA-1.3-DIENE - SYNTHESIS, CRYSTAL-STRUCTURE AND BONDING PROPERTIES. NEW JOURNAL OF CHEMISTRY, 13(4-5), p 309-313.
PUB | WoS
 
1989 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1652383
FUCHS, E.P.O., et al., 1989. UNUSUALLY COORDINATED PHOSPHORUS-COMPOUNDS .39. PHOSPHATRIAFULVENES - PHOSPHAALKENES WITH INVERSE ELECTRON-DENSITY. TETRAHEDRON LETTERS, 30(38), p 5111-5114.
PUB | DOI | WoS
 
1989 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1653230
Schoeller, W., & BUSCH, T., 1989. BIS-SILANEDIYLPHOSPHORANE VERSUS BIS-METHYLENEPHOSPHORANE - A THEORETICAL-STUDY. JOURNAL OF THE CHEMICAL SOCIETY-CHEMICAL COMMUNICATIONS, (4), p 234-236.
PUB | DOI | WoS
 
1988 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1653666
Knoche, W., et al., 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), p 7484-7489.
PUB | DOI | WoS
 
1988 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1654457
Schoeller, W., NIEMANN, J., & RADEMACHER, P., 1988. ON THE ELECTROCHEMICAL OXIDATION OF ENAMINES. JOURNAL OF THE CHEMICAL SOCIETY-PERKIN TRANSACTIONS 2, (3), p 369-373.
PUB | DOI | WoS
 
1988 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1653372
NIECKE, E., et al., 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), p 1713-1714.
PUB | DOI | WoS
 
1987 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1655310
Schoeller, W., & NIEMANN, J., 1987. ON THE POTENTIAL HYPERSURFACE OF THE DICATION OF CYCLOTETRAPHOSPHANE. THEOCHEM-JOURNAL OF MOLECULAR STRUCTURE, 37(1-2), p 145-154.
PUB | WoS
 
1987 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1655651
Schoeller, W., & DABISCH, T., 1987. BONDING IN CYCLOSILANES - EFFECT OF ORBITAL NONHYBRIDIZATION. INORGANIC CHEMISTRY, 26(7), p 1081-1086.
PUB | DOI | WoS
 
1987 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1655568
LERCH, C., NIEMANN, J., & Schoeller, W., 1987. BISMETHYLENEPHOSPHORANE AND TRISMETHYLENEPHOSPHORANE - EXPERIMENTAL AND THEORETICAL EVALUATION OF BONDING PROPERTIES. PHOSPHORUS SULFUR AND SILICON AND THE RELATED ELEMENTS, 30(1-2), p 503-506.
PUB | DOI | WoS
 
1987 | Kurzbeitrag Konferenz / Poster | Veröffentlicht | PUB-ID: 1655587
NIEMANN, J., & Schoeller, W., 1987. ON THE REDOX PROPERTIES OF CYCLOPHOSPHANES. PHOSPHORUS SULFUR AND SILICON AND THE RELATED ELEMENTS, 30(3-4), p 803-803.
PUB | DOI | WoS
 
1987 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1654656
Schoeller, W., DABISCH, T., & 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), p 4383-4389.
PUB | DOI | WoS
 

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