CCL:Summary:ESP

[ep7 \\at// dent.okayama-u.ac.jp]

 Dear Sir:
         Thank you for your reply:
 <responce 1>
 From: Dmitry Khoroshun <khoroshun \\at// terra.chem.emory.edu>
 Subject: Re: CCL:ESP
 To: ep7 \\at// dent.okayama-u.ac.jp
 Date: Mon, 3 Aug 1998 22:36:21 -0400 (EDT)
 Content-Type: text
 X-UIDL: 322c4535d1cdcfd8f8f158c4d5181400
 Hello!
 I must say I really enjoy your questions to CCL!
 >         What is the aim of ESP ?
 ESP=ElectroStatic Potential. A molecule or an ion creates an electrostatic
 potential (due to nuclei and electrons present). The aim of ESP, up to
 my understanding, is exactly what it proclaims -- model the electrostatic
 potential created by the molecule by means of some easy-computed function,
 such as superposition of point charges or whatever it takes to reproduce
 reasonably well the electron density in the question. So, I would say that
 the correct answer is
 > (2) the determination of charge for the electrostatic interaction beteen
 > molecules ?
 Sincerely,
 Dmitry Khoroshun
 <responce 2>
 Date: Wed, 5 Aug 1998 10:40:13 -0400 (EDT)
 From: Guido Germano <g.germano \\at// bristol.ac.uk>
 X-Sender: guido \\at// cockatoo.phy.bris.ac.uk
 Reply-To: Guido Germano <g.germano \\at// bristol.ac.uk>
 To: ep7 \\at// dent.okayama-u.ac.jp
 Subject: Re: ESP
 Organization: Department of Physics - University of Bristol
 Content-Type: TEXT/PLAIN; charset=US-ASCII
 X-UIDL: 36b02c39d8d30f97beb2b024c84c6abf
 >         What is the aim of ESP ?
 >
 > (2) the determination of charge for the electrostatic interaction beteen
 > molecules ?
 (2) is the correct answer.
 Regards
 Dr. Guido Germano
 Research Assistant in Theoretical Physics, University of Bristol, England
 Tel. +44-117-928 8755, http://www.phy.bris.ac.uk/staff/germano_g.html
 <responce 3>
         Dr. Hajime Takashima is the same opinion.
 Masao Masamura
 Preventive Dentistry
 Okayama University Dental School
 Shikata-cho, 2-5-1
 Okayama 700
 Japan
 FAX: 81-86-235-6714
 e-mail: ep7 \\at// dent.okayama-u.ac.jp