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403 Publikationen

1996 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1897251
Salzgeber RF, 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 | 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 | 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: 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: Femtochemistry: Ultrafast Chemical and Physical Processes in Molecular Systems. M. C (Ed); Singapore: World Scientific Publishing: 90.
PUB
 

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