From ep7@dent.okayama-u.ac.jp Wed Jan 22 01:17:58 1997 Received: from deews1.dent.okayama-u.ac.jp for ep7@dent.okayama-u.ac.jp by www.ccl.net (8.8.3/950822.1) id AAA11210; Wed, 22 Jan 1997 00:40:24 -0500 (EST) From: Received: from [150.46.140.80] (yobou2.dent.okayama-u.ac.jp [150.46.140.80]) by deews1.dent.okayama-u.ac.jp (8.7.5+2.6Wbeta6/3.3W9) with SMTP id OAA25133 for ; Wed, 22 Jan 1997 14:41:18 +0900 (JST) Message-Id: <199701220541.OAA25133@deews1.dent.okayama-u.ac.jp> Date: Wed, 22 Jan 1997 14:42:28 +0900 To: CHEMISTRY@www.ccl.net X-Sender: ep7@dent.okayama-u.ac.jp (Unverified) Subject: CCL:Charge MIME-Version: 1.0 Content-Type: text/plain; charset=iso-2022-jp X-Mailer: Eudora-J(1.3.8.5-J13) In Mulliken population analysis and Natural population analysis, the charges of the carbons are less negative in CH3NH3+ --> (CH3)2NH2+ --> (CH3)3NH+ --> (CH3)4N+. The tendency to change of charges of carbons in CHELP, CHELPG, and Merz and Kollman is the reverse of that tendency. Which tendency is correct ? Please explain me the reason for the tendencies. I will summarize the answers for these questions. Thank you. Masao Masamura Preventive Dentistry Okayama University Dental School Shikata-cho, 2-5-1 Okayama 700 Japan FAX: 81-86-225-3724 e-mail: ep7@dent.okayama-u.ac.jp From ccl@www.ccl.net Wed Jan 22 15:29:10 1997 Received: from bedrock.ccl.net for ccl@www.ccl.net by www.ccl.net (8.8.3/950822.1) id PAA24273; Wed, 22 Jan 1997 15:04:27 -0500 (EST) Received: from gatekeeper.eastman.com for bewilson@eastman.com by bedrock.ccl.net (8.8.3/950822.1) id PAA26894; Wed, 22 Jan 1997 15:04:24 -0500 (EST) Received: by gatekeeper.eastman.com; id PAA12125; Wed, 22 Jan 1997 15:13:52 -0500 (EST) Received: from emngw1.eastman.com(164.89.254.2) by gatekeeper.eastman.com via smap (3.2) id xma012090; Wed, 22 Jan 97 15:13:39 -0500 Received: from ntb150.kpt.emn.com by eastman.com with SMTP id AA14298 (5.67b/IDA-1.5 for ); Wed, 22 Jan 1997 15:02:07 -0500 Received: by ntb150.kpt.emn.com with SMTP (Microsoft Exchange Server Internet Mail Connector Version 4.0.993.5) id <01BC0875.5FFA8260@ntb150.kpt.emn.com>; Wed, 22 Jan 1997 15:03:07 -0500 Message-Id: From: "Wilson, Bruce" To: "'chemistry@ccl.net'" Subject: Need references on term symbols Date: Wed, 22 Jan 1997 15:02:23 -0500 X-Mailer: Microsoft Exchange Server Internet Mail Connector Version 4.0.993.5 Mime-Version: 1.0 Content-Type: text/plain; charset="us-ascii" Content-Transfer-Encoding: 7bit Back in times past, I learned something about all of the term/ symmetry symbols and such for describing the various electronic states of a material. I'm in a position now where I need to (re)learn that stuff (and not forget it right after the test). Specifically, I'm looking at things like the 2A1 states, 3A'', 2(Pi), and so forth. With apologies to Jim Harrison, who taught me this stuff once, does anyone have good references to books/tutorials on the subject? I will, of course, summarize to the list. Thanks. ================================================================= Bruce E. Wilson (bewilson@eastman.com) Chemical Information Services, B-150B, Lincoln Street Eastman Chemical Company Kingsport, TN 37662-5150 Voice: (423) 229-8886 FAX: (423) 229-6114 "Opinions are mine, but available free of charge."