Please note that PUB no longer supports Internet Explorer versions 8 or 9 (or earlier).

We recommend upgrading to the latest Internet Explorer, Google Chrome, or Firefox.

403 Publikationen

1996 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1897251
Salzgeber, RF, Manthe, Uwe, Weiss, T, and Schlier, C. “Improved L(2)-stabilization theory to compute resonances under multichannel conditions”. CHEMICAL PHYSICS LETTERS 249.3-4 (1996): 237-243.
PUB | DOI | WoS
 
1996 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1628697
Thelen, V, Schmidt, D, Nieger, M, Niecke, E, and Schoeller, Wolfgang. “Synthesis, structure, and reactivity of a 2,3,4-triphosphapentadienide”. ANGEWANDTE CHEMIE-INTERNATIONAL EDITION IN ENGLISH 35.3 (1996): 313-315.
PUB | DOI | WoS
 
1996 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1639471
Alcaraz, G, Baceiredo, A, Nieger, M, Schoeller, Wolfgang, and Bertrand, G. “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 (1996): 2458-2462.
PUB | DOI | WoS | PubMed | Europe PMC
 
1996 | Konferenzbeitrag | Veröffentlicht | PUB-ID: 1638493
Schoeller, Wolfgang, Strutwolf, J, and Niecke, E. “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 (1996): 674-674.
PUB | WoS
 
1996 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1639066
Schoeller, Wolfgang, and Tubbesing, U. “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 (1996): 419-425.
PUB | DOI | WoS
 
1996 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1628932
Alcaraz, G, Piquet, V, Baceiredo, A, Dahan, F, Schoeller, Wolfgang, and Bertrand, G. “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 (1996): 1060-1065.
PUB | DOI | WoS
 
1996 | Konferenzbeitrag | Veröffentlicht | PUB-ID: 1638490
Schoeller, Wolfgang, and Strutwolf, J. “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 (1996): 673-673.
PUB | WoS
 
1996 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1628422
Strutwolf, J, and Schoeller, Wolfgang. “Linear and cyclic sweep voltammetry at a rotating disk electrode. A digital simulation”. ELECTROANALYSIS 8.11 (1996): 1034-1039.
PUB | DOI | WoS
 
1996 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1897246
Manthe, Uwe. “A time-dependent discrete variable representation for (multiconfiguration) Hartree methods”. JOURNAL OF CHEMICAL PHYSICS 105.16 (1996): 6989-6994.
PUB | DOI | WoS
 
1996 | Konferenzbeitrag | Veröffentlicht | PUB-ID: 1897793
Manthe, Uwe. “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. Ed. Chergui M. Singapore: World Scientific Publishing, 1996. 90.
PUB
 
1996 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1897248
Manthe, Uwe, and Matzkies, F. “Iterative diagonalization within the multi-configurational time-dependent Hartree approach: Calculation of vibrationally excited states and reaction rates”. CHEMICAL PHYSICS LETTERS 252.1-2 (1996): 71-76.
PUB | DOI | WoS
 
1996 | Konferenzbeitrag | Veröffentlicht | PUB-ID: 1638209
Niecke, E, Becker, P, Fuchs, A, Nieger, M, Schiffer, T, and Schoeller, Wolfgang. “Novel aspects in the synthesis of carbenoids containing P/C-p pi-bonds”. PHOSPHORUS SULFUR AND SILICON AND THE RELATED ELEMENTS 110.1-4 (1996): 613-616.
PUB | DOI | WoS
 
1996 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1639122
Schoeller, Wolfgang, Haug, W, Strutwolf, J, and Busch, T. “The phospha-2-allyl-system: Electrochemical and quantum chemical investigations”. JOURNAL OF THE CHEMICAL SOCIETY-FARADAY TRANSACTIONS 92.10 (1996): 1751-1755.
PUB | DOI | WoS
 
1995 | Bielefelder E-Dissertation | PUB-ID: 2306251 OA
Stiehler, Johannes. Der numerische Multiconfiguration Self-Consistent Field-Ansatz für Atome. Bielefeld (Germany): Bielefeld University, 1995.
PUB | PDF
 
1995 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1897256
Manthe, Uwe. “Calculation of initial state-selected reaction probabilities by a minimal number of wavepackets”. CHEMICAL PHYSICS LETTERS 241.5-6 (1995): 497-501.
PUB | DOI | WoS
 
1995 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1629383
Schoeller, Wolfgang, and TUBBESING, U. “RELATIVE CATION VERSUS ANION STABILITIES OF LOW-COORDINATED P(III)PI-BONDED PHOSPHORUS-COMPOUNDS”. THEOCHEM-JOURNAL OF MOLECULAR STRUCTURE 343 (1995): 49-55.
PUB | DOI | WoS
 
1995 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1629283
Schoeller, Wolfgang, GOETTE, B, and TUBBESING, U. “ELECTRONIC-STRUCTURE OF THE 1,3-DIPHOSPHETANE”. JOURNAL OF PHYSICAL ORGANIC CHEMISTRY 8.11 (1995): 742-746.
PUB | DOI | WoS
 
1995 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1641265
Schoeller, Wolfgang. “ON BONDING IN THE TETRAPHOSPHABICYCLO[3.3.0]OCTA-1,4-DIENE-1,4-DIOLATE DILITHIUM STRUCTURE”. THEOCHEM-JOURNAL OF MOLECULAR STRUCTURE 332.3 (1995): 225-229.
PUB | DOI | WoS
 
1995 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1641557
Schoeller, Wolfgang, STRUTWOLF, J, TUBBESING, U, and BEGEMANN, C. “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 (1995): 2329-2334.
PUB | DOI | WoS
 
1995 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1640051
NIECKE, E, BECKER, P, NIEGER, M, STALKE, D, and Schoeller, Wolfgang. “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 (1995): 1849-1852.
PUB | DOI | WoS
 

Filter und Suchbegriffe

department=17982

Suche

Publikationen filtern

Darstellung / Sortierung

Zitationsstil: mla

Export / Einbettung