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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. 2010;957(1-3):66-71.
PUB | DOI | WoS
 
2005 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1601523
Rozhenko AB, 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. 2005;732(1-3):7-20.
PUB | DOI | WoS
 
2000 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1620477
Rozhenko AB, Schoeller W, Povolotskii MI. Conjugation in phosphabutadienes: ab initio investigation and NMR spectral manifestation. JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM. 2000;498(1-3):1-20.
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. 2000;500(1-3):181-193.
PUB | DOI | WoS
 
1998 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1626419
Schoeller W. On the electronic structure of dihalogenophosphenium cations. JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM. 1998;422(1-3):285-291.
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. 1995;343:49-55.
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. 1995;332(3):225-229.
PUB | DOI | WoS
 
1995 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1640701
Dress A, Müller A, ORVILLETHOMAS WJ. TOPOLOGICAL ASPECTS OF MOLECULAR-STRUCTURES - FOREWORD. THEOCHEM-JOURNAL OF MOLECULAR STRUCTURE. 1995;336(2-3):R11-R12.
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. 1995;333(3):249-260.
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. 1994;119(1):27-40.
PUB | WoS
 
1994 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1644135
Schoeller W, STRUTWOLF J. 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
Schoeller W. SMALL RING CYCLOPHOSPHENES - A THEORETICAL EVALUATION OF BONDING PROPERTIES. THEOCHEM-JOURNAL OF MOLECULAR STRUCTURE. 1993;103(1-2):61-66.
PUB | WoS
 
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. 1990;68(3-4):223-230.
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. 1988;41(3-4):211-247.
PUB | WoS
 
1987 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1655310
Schoeller W, NIEMANN J. ON THE POTENTIAL HYPERSURFACE OF THE DICATION OF CYCLOTETRAPHOSPHANE. THEOCHEM-JOURNAL OF MOLECULAR STRUCTURE. 1987;37(1-2):145-154.
PUB | WoS
 
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. 1986;30(3-4):311-328.
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. 1986;30(3-4):341-345.
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