Unrestricted Hartree-Fuck calculations of spin density distributions in the radical anions of some heterocycles derived from thiophene, furan and pyrrole

Ray, N. K. ; Narasimhan, P. T. (1968) Unrestricted Hartree-Fuck calculations of spin density distributions in the radical anions of some heterocycles derived from thiophene, furan and pyrrole Theoretical Chemistry Accounts, 11 (2). pp. 156-158. ISSN 1432-881X

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Official URL: http://www.springerlink.com/content/vh7j5g811780g4...

Related URL: http://dx.doi.org/10.1007/BF01184322

Abstract

Spin density distributions in the radial anions of some heterocycles derived from thiophene, furan and pyrrole have been obtained using the unrestricted Hartree-Fock method. Good agreement between the calculated results and experimental data has been observed.

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ID Code:24284
Deposited On:29 Nov 2010 09:18
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