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http://nopr.niscair.res.in/handle/123456789/6455
Title: | AM1 study on the conformations of zwitterions of 6-aminopenicillanic acid (6-APA) |
Authors: | Rao, Bojja Rajeshwar Lingamurthy, S |
Keywords: | 6-APA;zwitterions;AM1;frontier molecular orbital |
Issue Date: | May-2006 |
Publisher: | CSIR |
IPC Code: | Int.Cl.8 C 07 D |
Abstract: | The geometry and electronic structure of zwitterions of 6-aminopenicillanic acid (6-APA) have been optimized and calculated by semi-empirical molecular orbital AM1 method. The mechanism of formation of zwitterions of 6-APA has been studied by comparison of the different positions of net charges on nitrogen atoms in the molecule. In this connection, the heats of formation (![]() ![]() |
Page(s): | 1250-1253 |
URI: | http://hdl.handle.net/123456789/6455 |
ISSN: | 0975-0983(Online); 0376-4699(Print) |
Appears in Collections: | IJC-B Vol.45B(05) [May 2006] |
Files in This Item:
File | Description | Size | Format | |
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IJCB 45B(5) 1250-1253.pdf | 58.28 kB | Adobe PDF | View/Open |
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