From b130778@hp720a.csc.cuhk.hk  Sat Apr 30 02:21:22 1994
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From: MA NGAI LING IDA (W.K. LI) <b130778@hp720a.csc.cuhk.hk>
Subject: ** FREE semi-emperical code? **
To: chemistry@ccl.net
Date: Sat, 30 Apr 1994 13:22:13 +0800 (HKT)
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Dear all,

	I am just wondering whether there are any *free* or next to no cost
SEMIEMPERICAL or MOLECULAR MECHANICS code around?  I will summarize if there
is enought interest.

Ida


From ipcakc@vigyan.iisc.ernet.in  Sat Apr 30 23:21:34 1994
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To: CHEMISTRY@ccl.net
Subject: Usage of UHF
Date: 30 Apr 94 01:02:03 EST (Sat)
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Dear Netters,

UHF wave function can be used for the bond breaking/bond forming systems
in single bonds. But can UHF be used in the simultaneous bond-breaking
and bond-forming (like metathetical reactions A--B+C --> A + B--C)?if
it can be used, could anyone please give me some details (help will be
greately appreciated if a proper reference can be provided) on this
aspect. 

Thanks to all in advance

Sridhar

e.mail :  ipcakc@ipc.iisc.ernet.in