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Molecular Physics
An International Journal at the Interface Between Chemistry and Physics
Volume 36, 1978 - Issue 1
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Original Articles

Simple ab initio calculations on electronic structure and magnetism for benzene and borazine

Peter H. Blustin Department of Chemistry, The University, Sheffield, S3 7HF, U.K.
Pages 279-285 | Received 22 Dec 1977, Published online: 23 Aug 2006

Citations (13)

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Read on this site (4)

M.M. Abdel-Kader. (1983) On the magnetic behaviour of some hydrogen bonded molecules in crystals. Molecular Physics 48:6, pages 1145-1154.
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Ulrich Sternberg, Andreas Bleiber, Wener Haberditzl & Rainer Lochmann. (1982) Calculation of the susceptibility of aromatic compounds with a localized MO model. Molecular Physics 47:5, pages 1159-1163.
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J.A.N.F. Gomes. (1980) On the use of the ring current concept. Molecular Physics 40:3, pages 765-769.
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PeterH. Blustin. (1978) A localized π-bond model for the calculation of molar magnetic susceptibilities and anisotropies of aromatic hydrocarbons. Molecular Physics 36:5, pages 1441-1448.
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Articles from other publishers (9)

A.H. Pakiari & M.H. Keshavarz. (1995) Description of a π-system using the floating spherical gaussian orbital method. Journal of Molecular Structure: THEOCHEM 337:2, pages 155-160.
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R. R. Rye, J. A. Kelber, G. E. Kellogg, K. W. Nebesny & D. L. Lichtenberger. (1987) Localization effects in the Auger spectra of ring nitrogen systems: Pyridine, poly(2-vinyl)pyridine, borazine, and boron nitride. The Journal of Chemical Physics 86:8, pages 4375-4383.
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B. Rother, H.D. Zscheile, C. Weissmantel, C. Heiser, G. Holzhüter, G. Leonhardt & P. Reich. (1986) Preparation and characterization of ion-plated boron nitride. Thin Solid Films 142:1, pages 83-99.
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M.M. Abdel-Kader. (1982) Magnetic properties of some aromatic compounds. Chemical Physics Letters 93:3, pages 297-302.
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Paolo Lazzeretti & Riccardo Zanasi. (1981) Theoretical studies of the benzene molecule: Magnetic susceptibility and nuclear shielding constants. The Journal of Chemical Physics 75:10, pages 5019-5027.
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Kurt Niedenzu. (1979) Boron. Journal of Organometallic Chemistry 180, pages 65-100.
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Peter H. Blustin. (1979) Electronic structure and π electron magnetic susceptibility anisotropy in first and second row substituted heterobenzenes. Chemical Physics Letters 63:2, pages 347-351.
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Peter H. Blustin. (1979) A theoretical study of silabenzene. Journal of Organometallic Chemistry 166:1, pages 21-24.
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Jonathan A. Yoffe. (1979) Magnetic susceptibilities of acetylene and ethylene using frost-model wavefunctions withp-type Gaussians. Theoretica Chimica Acta 51:2, pages 97-106.
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