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Title

NBO ANALYSIS AND AB INITIO STUDY OF SOLVENT EFFECT ON THE CONFORMATIONAL BEHAVIOURS OF PROPERTIES OF 2-HALO-1, 3- DIOXANES AND ANALOGS CONTAINING F, CL , BR ATOMS

Writers

ROSTAMI A.A. | RAISI A.

Pages

 Start Page | End Page

Keywords

Not Registered.

Abstract

 THE NBO ANALYSIS AND AB INITIO STUDY OF SOLVENT EFFECT ON THE CONFORMATIONAL BEHAVIOURS OF AXIAL AND EQUATORIAL 2-FLUORO-1, 3-DIOXANE (1, 2), 2- CHLORO-1, 3-DIOXANE (3, 4), AND 2-BROMO-1, 3-DIOXANE (5, 6), IN VARIOUS SOLVENT CONTAINING WATER, ACETONITRILE AND DIETHYLETHER HAVE BEEN ANALYZED BY MEANS OF NATURAL BOND ORBITAL (NBO) AND AB INITIO, B3LYP/6-311+G** LEVEL. ...

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