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17 Publikationen

2010 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1793858
Schoeller, W. (2010). van der Waals interactions in sterically crowded disilenes. JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM 957, 66-71.
PUB | DOI | WoS
 
2005 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1601523
Rozhenko, A. B., Schoeller, W., Letzel, M., Decker, B., Agena, C., and Mattay, J. (2005). Conformational features of calix[4]arenes with alkali metal cations: A quantum chemical investigation with density functional theory. Journal of Molecular Structure: THEOCHEM 732, 7-20.
PUB | DOI | WoS
 
2000 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1620477
Rozhenko, A. B., Schoeller, W., and Povolotskii, M. I. (2000). Conjugation in phosphabutadienes: ab initio investigation and NMR spectral manifestation. JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM 498, 1-20.
PUB | DOI | WoS
 
2000 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1619677
Cronin, L., Beugholt, C., and Müller, A. (2000). 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, 181-193.
PUB | DOI | WoS
 
1998 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1626419
Schoeller, W. (1998). On the electronic structure of dihalogenophosphenium cations. JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM 422, 285-291.
PUB | DOI | WoS
 
1995 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1629383
Schoeller, W., and 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: 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, 225-229.
PUB | DOI | WoS
 
1995 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1640701
Dress, A., Müller, A., and ORVILLETHOMAS, W. J. (1995). TOPOLOGICAL ASPECTS OF MOLECULAR-STRUCTURES - FOREWORD. THEOCHEM-JOURNAL OF MOLECULAR STRUCTURE 336, R11-R12.
PUB | DOI | WoS
 
1995 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1641125
Schoeller, W., STRUTWOLF, J., and 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, 249-260.
PUB | DOI | WoS
 
1994 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1642373
Schoeller, W., and 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, 27-40.
PUB | WoS
 
1994 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1644135
Schoeller, W., and STRUTWOLF, J. (1994). ON THE ELECTRONIC HYPERSURFACE OF THE METHYLENEPHOSPHENIUM CATION. THEOCHEM-JOURNAL OF MOLECULAR STRUCTURE 111, 127-137.
PUB | 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, 61-66.
PUB | WoS
 
1990 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1650615
Müller, A., and WITTNEBEN, V. (1990). X(ALPHA) ELECTRON-STRUCTURE OF [VFE3S4(SH)6]4- AND POSSIBLE RELEVANCE TO THE NITROGENASE PROBLEM. THEOCHEM-JOURNAL OF MOLECULAR STRUCTURE 68, 223-230.
PUB | WoS
 
1988 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1654448
JOSTES, R., and Müller, A. (1988). THIOMETALATO COMPLEXES - ELECTRONIC-STRUCTURES AND THE RELATION TO THEIR CHEMICAL AND PHYSICAL-PROPERTIES. THEOCHEM-JOURNAL OF MOLECULAR STRUCTURE 41, 211-247.
PUB | WoS
 
1987 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1655310
Schoeller, W., and NIEMANN, J. (1987). ON THE POTENTIAL HYPERSURFACE OF THE DICATION OF CYCLOTETRAPHOSPHANE. THEOCHEM-JOURNAL OF MOLECULAR STRUCTURE 37, 145-154.
PUB | WoS
 
1986 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1656644
Jostes, R., Müller, A., and Diemann, E. (1986). ELECTRONIC-STRUCTURE AND SPECTRA OF OXOTHIOMETALATES MO4-NSN(2-)(M=MO, W, N=0-4). THEOCHEM-JOURNAL OF MOLECULAR STRUCTURE 30, 311-328.
PUB | WoS
 
1986 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1656648
Schoeller, W. (1986). THEORETICAL ASPECTS OF THE INVERSION BARRIERS IN CYCLOTRIPHOSPHANES AND RELATED SYSTEMS. THEOCHEM-JOURNAL OF MOLECULAR STRUCTURE 30, 341-345.
PUB | WoS
 

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