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NBO 3.0 (Natural Bond Orbital / Natural Population Analysis / Natural
Localized Molecular Orbital Programs ) authored by Glendening, Reed,
Carpenter and Weinhold, in this directory has been taken from
128.104.26.10. See the following mails.

                      Raimo Uusvuori 11.3.1993, CSC

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From jims@duce.medicine.rochester.edu Thu Mar 11 23:35:02 1993
Date: Mon, 8 Jun 92 14:59:24 GMT
From: "James P. Schmidt" 
To: CHEMISTRY@ccl.net
Subject: NBO 3.0

I would like to reiterate and expound upon my request of last week for 
information about NBO 3.0.

The program I am looking for is NBO 3.0 (Natural Bond Orbital / Natural 
Population Analysis / Natural Localized Molecular Orbital Programs )
authored by Glendening, Reed, Carpenter and Weinhold.  I have been using
this program as it is supplied as an undocumented feature in Gaussian 90
and would like to able to implement it with Ampac.
   I would appreciate any information as to how I can obtain this program.

                                              Jim Schmidt
                                              University of Rochester
                                              Pharmacology Dept.
                                              jims@duce.medicine.rochester.edu


From jims@duce.medicine.rochester.edu Thu Mar 11 23:35:09 1993
Date: Wed, 10 Jun 92 02:04:27 GMT
From: "James P. Schmidt" 
To: CHEMISTRY@ccl.net
Subject: NBO

Here is the response I recieved from Frank Weinhold re: NBO

* The program NBO 3.0 and printed documentation are available through the
* Quantum Chemistry Program Exchange at Indiana University, Bloomington.  
* The program manual describes the standard interface to Ampac.
*
* We also maintain a source program (.SRC code) of the latest available
* version on the GUEST account (password: JOYRIDE) of our VAX/VMS machine
* (node 128.104.26.10) for Telnet access.  You can log into this
* account, change to the [.NBO] directory, and retrieve the files there,
* including the basic NBO.SRC program, the ENABLE.FOR "activator" (e.g., to 
* generate the AMPNBO.FOR Ampac version from NBO.SRC), and the TechSet form
* of the program manual (the TechSet formatter is available through
* ACS Software at 202-872-4378).  
*
* Andrew Holder at the Chemistry Department of the University of Missouri, 
* Kansas City, is planning to market a version of the Dewar programs which
* includes NBO, so this is a third alternative you may consider.

Thanks to those who replied to my query.
                                        
                                       Jim Schmidt
                                       University of Rochester
                                       Pharmacology Dept.
                                       jims@duce.medicine.rochester.edu


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