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17 Publikationen

2010 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1793858
Schoeller, W.: van der Waals interactions in sterically crowded disilenes. JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM. 957, 66-71 (2010).
PUB | DOI | WoS
 
2005 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1601523
Rozhenko, A.B., Schoeller, W., Letzel, M., Decker, B., Agena, C., Mattay, J.: 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 (2005).
PUB | DOI | WoS
 
2000 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1620477
Rozhenko, A.B., Schoeller, W., Povolotskii, M.I.: Conjugation in phosphabutadienes: ab initio investigation and NMR spectral manifestation. JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM. 498, 1-20 (2000).
PUB | DOI | WoS
 
2000 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1619677
Cronin, L., Beugholt, C., Müller, A.: 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 (2000).
PUB | DOI | WoS
 
1998 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1626419
Schoeller, W.: On the electronic structure of dihalogenophosphenium cations. JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM. 422, 285-291 (1998).
PUB | DOI | WoS
 
1995 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1629383
Schoeller, W., TUBBESING, U.: RELATIVE CATION VERSUS ANION STABILITIES OF LOW-COORDINATED P(III)PI-BONDED PHOSPHORUS-COMPOUNDS. THEOCHEM-JOURNAL OF MOLECULAR STRUCTURE. 343, 49-55 (1995).
PUB | DOI | WoS
 
1995 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1641265
Schoeller, W.: 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 (1995).
PUB | DOI | WoS
 
1995 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1640701
Dress, A., Müller, A., ORVILLETHOMAS, W.J.: TOPOLOGICAL ASPECTS OF MOLECULAR-STRUCTURES - FOREWORD. THEOCHEM-JOURNAL OF MOLECULAR STRUCTURE. 336, R11-R12 (1995).
PUB | DOI | WoS
 
1995 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1641125
Schoeller, W., STRUTWOLF, J., 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, 249-260 (1995).
PUB | DOI | WoS
 
1994 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1642373
Schoeller, W., BUSCH, T.: ON THE ELECTRONIC-STRUCTURE OF THE CATIONS, RADICALS AND ANIONS OF H2SIP, H2PSI AND RELATED-COMPOUNDS. JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM. 119, 27-40 (1994).
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1994 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1644135
Schoeller, W., STRUTWOLF, J.: ON THE ELECTRONIC HYPERSURFACE OF THE METHYLENEPHOSPHENIUM CATION. THEOCHEM-JOURNAL OF MOLECULAR STRUCTURE. 111, 127-137 (1994).
PUB | WoS
 
1993 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1645358
Schoeller, W.: SMALL RING CYCLOPHOSPHENES - A THEORETICAL EVALUATION OF BONDING PROPERTIES. THEOCHEM-JOURNAL OF MOLECULAR STRUCTURE. 103, 61-66 (1993).
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1990 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1650615
Müller, A., WITTNEBEN, V.: X(ALPHA) ELECTRON-STRUCTURE OF [VFE3S4(SH)6]4- AND POSSIBLE RELEVANCE TO THE NITROGENASE PROBLEM. THEOCHEM-JOURNAL OF MOLECULAR STRUCTURE. 68, 223-230 (1990).
PUB | WoS
 
1988 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1654448
JOSTES, R., Müller, A.: THIOMETALATO COMPLEXES - ELECTRONIC-STRUCTURES AND THE RELATION TO THEIR CHEMICAL AND PHYSICAL-PROPERTIES. THEOCHEM-JOURNAL OF MOLECULAR STRUCTURE. 41, 211-247 (1988).
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1987 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1655310
Schoeller, W., NIEMANN, J.: ON THE POTENTIAL HYPERSURFACE OF THE DICATION OF CYCLOTETRAPHOSPHANE. THEOCHEM-JOURNAL OF MOLECULAR STRUCTURE. 37, 145-154 (1987).
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1986 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1656644
Jostes, R., Müller, A., Diemann, E.: ELECTRONIC-STRUCTURE AND SPECTRA OF OXOTHIOMETALATES MO4-NSN(2-)(M=MO, W, N=0-4). THEOCHEM-JOURNAL OF MOLECULAR STRUCTURE. 30, 311-328 (1986).
PUB | WoS
 
1986 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1656648
Schoeller, W.: THEORETICAL ASPECTS OF THE INVERSION BARRIERS IN CYCLOTRIPHOSPHANES AND RELATED SYSTEMS. THEOCHEM-JOURNAL OF MOLECULAR STRUCTURE. 30, 341-345 (1986).
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