From ep7 -8 at 8- dent.okayama-u.ac.jp Sun Aug 9 21:11:49 1998 Received: from deews1.dent.okayama-u.ac.jp (deews1.dent.okayama-u.ac.jp [150.46.202.36]) by www.ccl.net (8.8.3/8.8.6/OSC/CCL 1.0) with ESMTP id VAA07737 Sun, 9 Aug 1998 21:11:47 -0400 (EDT) From: ep7 |-at-| dent.okayama-u.ac.jp Received: from [150.46.140.80] (yobou2.dent.okayama-u.ac.jp [150.46.140.80]) by deews1.dent.okayama-u.ac.jp (8.8.8/3.6W) with SMTP id KAA21468 for ; Mon, 10 Aug 1998 10:13:01 +0900 (JST) Message-Id: <199808100113.KAA21468 $#at#$ deews1.dent.okayama-u.ac.jp> Date: Mon, 10 Aug 1998 10:30:46 +0900 To: CHEMISTRY%!at!%www.ccl.net Subject: CCL:Summary:ESP MIME-Version: 1.0 Content-Type: text/plain; charset=iso-2022-jp X-Mailer: Eudora-J(1.3.8.5-J13) Dear Sir: Thank you for your reply: From: Dmitry Khoroshun 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 Date: Wed, 5 Aug 1998 10:40:13 -0400 (EDT) From: Guido Germano X-Sender: guido.,at,.cockatoo.phy.bris.ac.uk Reply-To: Guido Germano 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 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