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17 Publikationen

2010 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1793858
W. Schoeller, “van der Waals interactions in sterically crowded disilenes”, JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 2010, 957, 66-71.
PUB | DOI | WoS
 
2005 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1601523
A. B. Rozhenko, W. Schoeller, M. Letzel, B. Decker, C. Agena, and J. Mattay, “Conformational features of calix[4]arenes with alkali metal cations: A quantum chemical investigation with density functional theory”, Journal of Molecular Structure: THEOCHEM, 2005, 732, 7-20.
PUB | DOI | WoS
 
2000 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1620477
A. B. Rozhenko, W. Schoeller, and M. I. Povolotskii, “Conjugation in phosphabutadienes: ab initio investigation and NMR spectral manifestation”, JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 2000, 498, 1-20.
PUB | DOI | WoS
 
2000 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1619677
L. Cronin, C. Beugholt, and A. Müller, “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, 2000, 500, 181-193.
PUB | DOI | WoS
 
1998 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1626419
W. Schoeller, “On the electronic structure of dihalogenophosphenium cations”, JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 1998, 422, 285-291.
PUB | DOI | WoS
 
1995 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1629383
W. Schoeller, and U. TUBBESING, “RELATIVE CATION VERSUS ANION STABILITIES OF LOW-COORDINATED P(III)PI-BONDED PHOSPHORUS-COMPOUNDS”, THEOCHEM-JOURNAL OF MOLECULAR STRUCTURE, 1995, 343, 49-55.
PUB | DOI | WoS
 
1995 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1641265
W. Schoeller, “ON BONDING IN THE TETRAPHOSPHABICYCLO[3.3.0]OCTA-1,4-DIENE-1,4-DIOLATE DILITHIUM STRUCTURE”, THEOCHEM-JOURNAL OF MOLECULAR STRUCTURE, 1995, 332, 225-229.
PUB | DOI | WoS
 
1995 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1640701
A. Dress, A. Müller, and W. J. ORVILLETHOMAS, “TOPOLOGICAL ASPECTS OF MOLECULAR-STRUCTURES - FOREWORD”, THEOCHEM-JOURNAL OF MOLECULAR STRUCTURE, 1995, 336, R11-R12.
PUB | DOI | WoS
 
1995 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1641125
W. Schoeller, J. STRUTWOLF, and E. NIECKE, “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, 1995, 333, 249-260.
PUB | DOI | WoS
 
1994 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1642373
W. Schoeller, and T. BUSCH, “ON THE ELECTRONIC-STRUCTURE OF THE CATIONS, RADICALS AND ANIONS OF H2SIP, H2PSI AND RELATED-COMPOUNDS”, JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 1994, 119, 27-40.
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1994 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1644135
W. Schoeller, and J. STRUTWOLF, “ON THE ELECTRONIC HYPERSURFACE OF THE METHYLENEPHOSPHENIUM CATION”, THEOCHEM-JOURNAL OF MOLECULAR STRUCTURE, 1994, 111, 127-137.
PUB | WoS
 
1993 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1645358
W. Schoeller, “SMALL RING CYCLOPHOSPHENES - A THEORETICAL EVALUATION OF BONDING PROPERTIES”, THEOCHEM-JOURNAL OF MOLECULAR STRUCTURE, 1993, 103, 61-66.
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1990 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1650615
A. Müller, and V. WITTNEBEN, “X(ALPHA) ELECTRON-STRUCTURE OF [VFE3S4(SH)6]4- AND POSSIBLE RELEVANCE TO THE NITROGENASE PROBLEM”, THEOCHEM-JOURNAL OF MOLECULAR STRUCTURE, 1990, 68, 223-230.
PUB | WoS
 
1988 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1654448
R. JOSTES, and A. Müller, “THIOMETALATO COMPLEXES - ELECTRONIC-STRUCTURES AND THE RELATION TO THEIR CHEMICAL AND PHYSICAL-PROPERTIES”, THEOCHEM-JOURNAL OF MOLECULAR STRUCTURE, 1988, 41, 211-247.
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1987 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1655310
W. Schoeller, and J. NIEMANN, “ON THE POTENTIAL HYPERSURFACE OF THE DICATION OF CYCLOTETRAPHOSPHANE”, THEOCHEM-JOURNAL OF MOLECULAR STRUCTURE, 1987, 37, 145-154.
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1986 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1656644
R. Jostes, A. Müller, and E. Diemann, “ELECTRONIC-STRUCTURE AND SPECTRA OF OXOTHIOMETALATES MO4-NSN(2-)(M=MO, W, N=0-4)”, THEOCHEM-JOURNAL OF MOLECULAR STRUCTURE, 1986, 30, 311-328.
PUB | WoS
 
1986 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1656648
W. Schoeller, “THEORETICAL ASPECTS OF THE INVERSION BARRIERS IN CYCLOTRIPHOSPHANES AND RELATED SYSTEMS”, THEOCHEM-JOURNAL OF MOLECULAR STRUCTURE, 1986, 30, 341-345.
PUB | WoS
 

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