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403 Publikationen

1996 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1897251
Salzgeber, R. F.; Manthe, U.; Weiss, T.; Schlier, C. (1996): Improved L(2)-stabilization theory to compute resonances under multichannel conditions CHEMICAL PHYSICS LETTERS,249:(3-4): 237-243.
PUB | DOI | WoS
 
1996 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1628697
Thelen, V.; Schmidt, D.; Nieger, M.; Niecke, E.; Schoeller, W. (1996): Synthesis, structure, and reactivity of a 2,3,4-triphosphapentadienide ANGEWANDTE CHEMIE-INTERNATIONAL EDITION IN ENGLISH,35:(3): 313-315.
PUB | DOI | WoS
 
1996 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1639471
Alcaraz, G.; Baceiredo, A.; Nieger, M.; Schoeller, W.; 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.
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): 674-674.
PUB | WoS
 
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): 419-425.
PUB | DOI | WoS
 
1996 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1628932
Alcaraz, G.; Piquet, V.; Baceiredo, A.; Dahan, F.; Schoeller, W.; 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.
PUB | DOI | WoS
 
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): 673-673.
PUB | WoS
 
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): 1034-1039.
PUB | DOI | WoS
 
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): 6989-6994.
PUB | DOI | WoS
 
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: Chergui M. (Hrsg.): Femtochemistry: Ultrafast Chemical and Physical Processes in Molecular Systems. Singapore: World Scientific Publishing. S. 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): 71-76.
PUB | DOI | WoS
 
1996 | Konferenzbeitrag | Veröffentlicht | PUB-ID: 1638209
Niecke, E.; Becker, P.; Fuchs, A.; Nieger, M.; Schiffer, T.; Schoeller, W. (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.
PUB | DOI | WoS
 
1996 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1639122
Schoeller, W.; Haug, W.; Strutwolf, J.; Busch, T. (1996): The phospha-2-allyl-system: Electrochemical and quantum chemical investigations JOURNAL OF THE CHEMICAL SOCIETY-FARADAY TRANSACTIONS,92:(10): 1751-1755.
PUB | DOI | WoS
 
1995 | Bielefelder E-Dissertation | PUB-ID: 2306251 OA
Stiehler, J. (1995): Der numerische Multiconfiguration Self-Consistent Field-Ansatz für Atome. Bielefeld (Germany): Bielefeld University.
PUB | PDF
 
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): 497-501.
PUB | DOI | WoS
 
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: 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): 742-746.
PUB | DOI | WoS
 
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): 225-229.
PUB | DOI | WoS
 
1995 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1641557
Schoeller, W.; STRUTWOLF, J.; TUBBESING, U.; 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.
PUB | DOI | WoS
 
1995 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1640051
NIECKE, E.; BECKER, P.; NIEGER, M.; STALKE, D.; Schoeller, W. (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.
PUB | DOI | WoS
 

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