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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(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 (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(1-3): 7-20.
PUB | DOI | WoS
 
2000 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1620477
Rozhenko AB, Schoeller W, Povolotskii MI (2000)
Conjugation in phosphabutadienes: ab initio investigation and NMR spectral manifestation.
JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM 498(1-3): 1-20.
PUB | DOI | WoS
 
2000 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1619677
Cronin L, Beugholt C, 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(1-3): 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(1-3): 285-291.
PUB | DOI | WoS
 
1995 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1629383
Schoeller W, 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(3): 225-229.
PUB | DOI | WoS
 
1995 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1640701
Dress A, Müller A, ORVILLETHOMAS WJ (1995)
TOPOLOGICAL ASPECTS OF MOLECULAR-STRUCTURES - FOREWORD.
THEOCHEM-JOURNAL OF MOLECULAR STRUCTURE 336(2-3): R11-R12.
PUB | DOI | WoS
 
1995 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1641125
Schoeller W, STRUTWOLF J, 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(3): 249-260.
PUB | DOI | WoS
 
1994 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1642373
Schoeller W, 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(1): 27-40.
PUB | WoS
 
1994 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1644135
Schoeller W, 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(1-2): 61-66.
PUB | WoS
 
1990 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1650615
Müller A, 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(3-4): 223-230.
PUB | WoS
 
1988 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1654448
JOSTES R, Müller A (1988)
THIOMETALATO COMPLEXES - ELECTRONIC-STRUCTURES AND THE RELATION TO THEIR CHEMICAL AND PHYSICAL-PROPERTIES.
THEOCHEM-JOURNAL OF MOLECULAR STRUCTURE 41(3-4): 211-247.
PUB | WoS
 
1987 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1655310
Schoeller W, NIEMANN J (1987)
ON THE POTENTIAL HYPERSURFACE OF THE DICATION OF CYCLOTETRAPHOSPHANE.
THEOCHEM-JOURNAL OF MOLECULAR STRUCTURE 37(1-2): 145-154.
PUB | WoS
 
1986 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1656644
Jostes R, Müller A, Diemann E (1986)
ELECTRONIC-STRUCTURE AND SPECTRA OF OXOTHIOMETALATES MO4-NSN(2-)(M=MO, W, N=0-4).
THEOCHEM-JOURNAL OF MOLECULAR STRUCTURE 30(3-4): 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(3-4): 341-345.
PUB | WoS
 

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