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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. doi:10.1016/j.theochem.2010.07.006
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2005 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1601523
Rozhenko, A. B., 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. doi:10.1016/j.theochem.2005.06.041
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2000 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1620477
Rozhenko, A. B., Schoeller, W., & Povolotskii, M. I. (2000). Conjugation in phosphabutadienes: ab initio investigation and NMR spectral manifestation. JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 498(1-3), 1-20. doi:10.1016/S0166-1280(99)00206-7
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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. doi:10.1016/S0166-1280(00)00434-6
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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. doi:10.1016/S0166-1280(97)00108-5
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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. doi:10.1016/0166-1280(95)90523-5
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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.
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1995 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1640701
Dress, A., Müller, A., & ORVILLETHOMAS, W. J. (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. doi:10.1016/0166-1280(94)03935-E
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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.
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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.
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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.
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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.
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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.
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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.
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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.
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