Subject: HOMO & LUMO energies of MnO4-

From: "Xie, Ning" <[email-masked]>
Date: Tue, 04 Feb 1997 15:19:36 -0600 (CST)

Hi, there,
Is there anybody who'd like to share his expertise in calculating
the MO energies of MnO4- (permanganate ion) with us?
I tried semi-emperical method with basis set ZINDO/1 but the result
is not satisfied. I tried ab initio method using G94w, it gave error
massages.
Any information is appreciated.
Thank you.

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|  XIE, NING                         Tel: (306)585-5262 (O)             | 
|  Chemistry Department                   (306)585-2184 (H)             |
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|  Canada   S4S 0A2                                                     |
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