Subject: Re: CCL:energy partitioning question

From: [email-masked] (Akinori MURAKAMI)
Date: Mon, 28 Mar 94 19:46:43 +0900

The original paper by Kazuo Kitaura and Morokuma is
                      ^^^^^^^^^^^^^
Int. J. Quant. Chem. vol. x, p 325-340 (1976)

' A New Energy Decomposition Scheme for Molecular Interactions within
Hartree-Fock Approximation'

Usualy called Morokuma's energy partitiong, 
but seldom Kitaura and Morokuma's.

>> Can someone provide me with the references to the original paper(s) by
>> Morokuma which describe how to partition energy into its component terms,
>> such as dispersion, electrostatic, etc.?  Also, if anyone is aware of this
>> method being applied to hydrogen bonds or hydrogen bonding systems, please
>> forward those references as well.  I would appreciate it.
>> 
>> Doug
>> 
>> Douglas A. Smith
>> Assistant Professor, Department of Chemistry
>> Center for Drug Design and Development
>>  and
>> Chairman-elect, ACS Division of Computers in Chemistry
>> 
>> The University of Toledo
>> Toledo, OH  43606-3390
>> 
>> voice    419-537-2116
>> fax      419-537-4033
>> email    [email-masked]
>> 

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