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17 Publikationen

2010 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1793858
Schoeller, Wolfgang. “van der Waals interactions in sterically crowded disilenes”. JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM 957.1-3 (2010): 66-71.
PUB | DOI | WoS
 
2005 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1601523
Rozhenko, Alexander B., Schoeller, Wolfgang, Letzel, Matthias, Decker, Björn, Agena, Ceno, and Mattay, Jochen. “Conformational features of calix[4]arenes with alkali metal cations: A quantum chemical investigation with density functional theory”. Journal of Molecular Structure: THEOCHEM 732.1-3 (2005): 7-20.
PUB | DOI | WoS
 
2000 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1620477
Rozhenko, AB, Schoeller, Wolfgang, and Povolotskii, MI. “Conjugation in phosphabutadienes: ab initio investigation and NMR spectral manifestation”. JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM 498.1-3 (2000): 1-20.
PUB | DOI | WoS
 
2000 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1619677
Cronin, L, Beugholt, Christian, and Müller, Achim. “Towards the construction of mesoscopic species with emergent and functional properties via the derivatisation of molybdenum-oxide 'Giant-Wheel' clusters”. JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM 500.1-3 (2000): 181-193.
PUB | DOI | WoS
 
1998 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1626419
Schoeller, Wolfgang. “On the electronic structure of dihalogenophosphenium cations”. JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM 422.1-3 (1998): 285-291.
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: 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: 1640701
Dress, A, Müller, Achim, and ORVILLETHOMAS, WJ. “TOPOLOGICAL ASPECTS OF MOLECULAR-STRUCTURES - FOREWORD”. THEOCHEM-JOURNAL OF MOLECULAR STRUCTURE 336.2-3 (1995): R11-R12.
PUB | DOI | WoS
 
1995 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1641125
Schoeller, Wolfgang, STRUTWOLF, J, and NIECKE, E. “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 (1995): 249-260.
PUB | DOI | WoS
 
1994 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1642373
Schoeller, Wolfgang, and BUSCH, T. “ON THE ELECTRONIC-STRUCTURE OF THE CATIONS, RADICALS AND ANIONS OF H2SIP, H2PSI AND RELATED-COMPOUNDS”. JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM 119.1 (1994): 27-40.
PUB | WoS
 
1994 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1644135
Schoeller, Wolfgang, and STRUTWOLF, J. “ON THE ELECTRONIC HYPERSURFACE OF THE METHYLENEPHOSPHENIUM CATION”. THEOCHEM-JOURNAL OF MOLECULAR STRUCTURE 111 (1994): 127-137.
PUB | WoS
 
1993 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1645358
Schoeller, Wolfgang. “SMALL RING CYCLOPHOSPHENES - A THEORETICAL EVALUATION OF BONDING PROPERTIES”. THEOCHEM-JOURNAL OF MOLECULAR STRUCTURE 103.1-2 (1993): 61-66.
PUB | WoS
 
1990 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1650615
Müller, Achim, and WITTNEBEN, V. “X(ALPHA) ELECTRON-STRUCTURE OF [VFE3S4(SH)6]4- AND POSSIBLE RELEVANCE TO THE NITROGENASE PROBLEM”. THEOCHEM-JOURNAL OF MOLECULAR STRUCTURE 68.3-4 (1990): 223-230.
PUB | WoS
 
1988 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1654448
JOSTES, R, and Müller, Achim. “THIOMETALATO COMPLEXES - ELECTRONIC-STRUCTURES AND THE RELATION TO THEIR CHEMICAL AND PHYSICAL-PROPERTIES”. THEOCHEM-JOURNAL OF MOLECULAR STRUCTURE 41.3-4 (1988): 211-247.
PUB | WoS
 
1987 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1655310
Schoeller, Wolfgang, and NIEMANN, J. “ON THE POTENTIAL HYPERSURFACE OF THE DICATION OF CYCLOTETRAPHOSPHANE”. THEOCHEM-JOURNAL OF MOLECULAR STRUCTURE 37.1-2 (1987): 145-154.
PUB | WoS
 
1986 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1656644
Jostes, R, Müller, Achim, and Diemann, Ekkehard. “ELECTRONIC-STRUCTURE AND SPECTRA OF OXOTHIOMETALATES MO4-NSN(2-)(M=MO, W, N=0-4)”. THEOCHEM-JOURNAL OF MOLECULAR STRUCTURE 30.3-4 (1986): 311-328.
PUB | WoS
 
1986 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1656648
Schoeller, Wolfgang. “THEORETICAL ASPECTS OF THE INVERSION BARRIERS IN CYCLOTRIPHOSPHANES AND RELATED SYSTEMS”. THEOCHEM-JOURNAL OF MOLECULAR STRUCTURE 30.3-4 (1986): 341-345.
PUB | WoS
 

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