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17 Publikationen

2010 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1793858
Schoeller, Wolfgang. 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, Alexander B., Schoeller, Wolfgang, Letzel, Matthias, Decker, Björn, Agena, Ceno, and Mattay, Jochen. 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, Wolfgang, and 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, Christian, and Müller, Achim. 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, Wolfgang. 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, Wolfgang, 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, Wolfgang. 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, Achim, and 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, Wolfgang, 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 (3): 249-260.
PUB | DOI | WoS
 
1994 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1642373
Schoeller, Wolfgang, 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 (1): 27-40.
PUB | WoS
 
1994 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1644135
Schoeller, Wolfgang, 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, Wolfgang. 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, Achim, 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 (3-4): 223-230.
PUB | WoS
 
1988 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1654448
JOSTES, R, and Müller, Achim. 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, Wolfgang, and 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, Achim, and Diemann, Ekkehard. 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, Wolfgang. 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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