From chemistry-request@server.ccl.net Thu Jul 5 03:47:40 2001 Received: from nwcst315.netaddress.usa.net ([204.68.23.60]) by server.ccl.net (8.11.0/8.11.0) with SMTP id f657ld518283 for ; Thu, 5 Jul 2001 03:47:40 -0400 Received: (qmail 5617 invoked by uid 60001); 5 Jul 2001 07:47:39 -0000 Message-ID: <20010705074739.5616.qmail@nwcst315.netaddress.usa.net> Received: from 204.68.23.60 by nwcst315 for [161.142.10.11] via web-mailer(34FM.0700.18.03B) on Thu Jul 5 07:47:39 GMT 2001 Date: 5 Jul 2001 01:47:39 MDT From: Ng Pei Ling To: chemistry@ccl.net Subject: free energy pertubation (amber) X-Mailer: USANET web-mailer (34FM.0700.18.03B) Mime-Version: 1.0 Content-Type: text/plain; charset=US-ASCII Content-Transfer-Encoding: 8bit X-MIME-Autoconverted: from quoted-printable to 8bit by server.ccl.net id f657le518284 Dear friends: I'm using Free Energy Pertubation (FEP) method (Amber)in my project. Can anyboy send me references about FEP method (Amber). From chemistry-request@server.ccl.net Thu Jul 5 09:21:05 2001 Received: from soul.helsinki.fi ([128.214.3.1]) by server.ccl.net (8.11.0/8.11.0) with ESMTP id f65DL5504044 for ; Thu, 5 Jul 2001 09:21:05 -0400 Received: from localhost (mpjohans@localhost) by soul.helsinki.fi (8.9.3/8.9.3) with ESMTP id QAA20687 for ; Thu, 5 Jul 2001 16:21:04 +0300 (EET DST) X-Authentication-Warning: soul.helsinki.fi: mpjohans owned process doing -bs Date: Thu, 5 Jul 2001 16:21:04 +0300 (EET DST) From: Mikael Johansson X-Sender: To: Subject: History of atomic shell labels In-Reply-To: <005c01c0eff8$c735e5e0$3b8506c1@chem.klte.hu> Message-ID: MIME-Version: 1.0 Content-Type: TEXT/PLAIN; charset=US-ASCII Hello All! I today tried to find out the history of the labels of atomic shells, without that much success... So if anyone has some good history answers/references for the following the curiosity-lobe of my brain would be satisfied for a while! 1.) Who came up with the idea of starting labeling of the atomic shells from K, L, M..., and more interestingly; why start from K? 2.) The subshell labels came from the spectral lines of alkali metals, but where Sharp, Principal and Diffuse lines are quite self explanatory, I have some difficulty of picturing a "Fundamental" spectral line :-) Any help? 3.) Was there a good reason for leaving out j from the labels for subshells? Have a nice summer, Mikael Johansson University of Helsinki Department of Chemistry mikael.johansson@helsinki.fi