From ipcakc@vigyan.iisc.ernet.in Sun Apr 30 09:02:02 1995 Received: from sangam.ncst.ernet.in for ipcakc@vigyan.iisc.ernet.in by www.ccl.net (8.6.10/930601.1506) id JAA14860; Sun, 30 Apr 1995 09:00:54 -0400 From: Received: from soochak.ncst.ernet.in (soochak.ncst.ernet.in [144.16.11.100]) by sangam.ncst.ernet.in (8.6.8.1/8.6.6) with ESMTP id SAA09362 for ; Sun, 30 Apr 1995 18:31:02 +0530 Received: from iisc.ernet.in (iisc.iisc.ernet.in [144.16.64.3]) by soochak.ncst.ernet.in (8.6.8.1/8.6.5) with SMTP id SAA02738 for ; Sun, 30 Apr 1995 18:30:47 +0530 Received: from vigyan.UUCP by iisc.ernet.in (ERNET-IISc/SMI-4.1) id AA13062; Sun, 30 Apr 95 18:35:30+0530 Received: by vigyan.iisc.ernet.in (smail2.3) id AA22857; 30 Apr 95 18:28:10 EST (Sun) To: CHEMISTRY@ccl.net Subject: EHT PARAMETERS, URGENT ** Date: 30 Apr 95 18:28:10 EST (Sun) Message-Id: <9504301828.AA22857@vigyan.iisc.ernet.in> Dear Netters I would like to know the "ftp" site for getting the coordinates of C60, C60H6, C60Cl6, C60Br6, C60Br24 etc. I vaguely remember that few months back in OSC there were few mails stating the availability of these coordinates. Kindly inform me at the earliest possible. Furthermore, I also would like to know the EHT parameters for Bromine. Any reference or clue is welcome. I will summarise the results to all netters. This I need it very urgently. Thanking you Sumathy ipcakc@vigyan.iisc.ernet.in From ipcakc@vigyan.iisc.ernet.in Sun Apr 30 10:17:03 1995 Received: from sangam.ncst.ernet.in for ipcakc@vigyan.iisc.ernet.in by www.ccl.net (8.6.10/930601.1506) id KAA15228; Sun, 30 Apr 1995 10:04:31 -0400 From: Received: from soochak.ncst.ernet.in (soochak.ncst.ernet.in [144.16.11.100]) by sangam.ncst.ernet.in (8.6.8.1/8.6.6) with ESMTP id TAA13714 for ; Sun, 30 Apr 1995 19:34:40 +0530 Received: from iisc.ernet.in (iisc.iisc.ernet.in [144.16.64.3]) by soochak.ncst.ernet.in (8.6.8.1/8.6.5) with SMTP id TAA03168 for ; Sun, 30 Apr 1995 19:34:25 +0530 Received: from vigyan.UUCP by iisc.ernet.in (ERNET-IISc/SMI-4.1) id AA13707; Sun, 30 Apr 95 19:39:08+0530 Received: by vigyan.iisc.ernet.in (smail2.3) id AA01515; 30 Apr 95 19:30:07 EST (Sun) To: CHEMISTRY@ccl.net Subject: BROMINE parameters Date: 30 Apr 95 19:30:07 EST (Sun) Message-Id: <9504301930.AA01515@vigyan.iisc.ernet.in> Dear Netters Kindly provide me the EHT parameters for bromine namely EXPS, EXPP, EXPD1, EXPD2, C1, C2, Couls, Coulp, Could, I would also welcome some reference papers in this respect. Thanking you in anticipation Sumathy ipcakc@vigyan.iisc.ernet.in From ravishan@swan.wcc.wesleyan.edu Sun Apr 30 18:17:09 1995 Received: from swan.wcc.wesleyan.edu for ravishan@swan.wcc.wesleyan.edu by www.ccl.net (8.6.10/930601.1506) id SAA19245; Sun, 30 Apr 1995 18:11:22 -0400 Received: by swan.wcc.wesleyan.edu (AIX 3.2/UCB 5.64/4.03) id AA16089; Sun, 30 Apr 1995 18:17:02 -0400 Date: Sun, 30 Apr 1995 18:17:02 -0400 Message-Id: <9504302217.AA16089@swan.wcc.wesleyan.edu> From: "G. Ravishanker" To: chemistry@ccl.net Subject: van der Walls complexes Hi I am posting this on behalf of some colleagues. Can someone point to any type of calculations (semi-empirical, gaussian, molecular mechanics) done on van der walls complexes? We tried doing semi-empirical calculations using HyperChem and most of the procedures required parameters for Ar, which were not available in the databases. Any help is appreciated. Ravi From glee@chem0sun.calstatela.edu Sun Apr 30 18:32:10 1995 Received: from neptune.calstatela.edu for glee@chem0sun.calstatela.edu by www.ccl.net (8.6.10/930601.1506) id SAA19380; Sun, 30 Apr 1995 18:26:59 -0400 Received: from chem0sun.calstatela.edu (chem0sun.calstatela.edu [130.182.171.14]) by neptune.calstatela.edu (8.6.9/8.6.9) with SMTP id PAA04365 for ; Sun, 30 Apr 1995 15:26:02 -0700 Received: by chem0sun.calstatela.edu (4.1/SMI-4.1) id AA12079; Sun, 30 Apr 95 15:22:33 PDT Date: Sun, 30 Apr 95 15:22:33 PDT From: glee@chem0sun.calstatela.edu (Ging Lee 12-06-90) Message-Id: <9504302222.AA12079@chem0sun.calstatela.edu> To: chemistry@ccl.net Subject: infrared transparent polymers Dear netters, I have come upon a very interesting topic in chemistry about infrared transparent polymers. So far I have not been able to locate any helpful reading material about the subject. I would much appreciated if someone can forward me some info about this subject, regardless of theoretical or exprimental. Thanks, Ging Lee From glee@chem0sun.calstatela.edu Sun Apr 30 18:42:38 1995 Received: from neptune.calstatela.edu for glee@chem0sun.calstatela.edu by www.ccl.net (8.6.10/930601.1506) id SAA19374; Sun, 30 Apr 1995 18:26:29 -0400 Received: from chem0sun.calstatela.edu (chem0sun.calstatela.edu [130.182.171.14]) by neptune.calstatela.edu (8.6.9/8.6.9) with SMTP id PAA04357 for ; Sun, 30 Apr 1995 15:25:21 -0700 Received: by chem0sun.calstatela.edu (4.1/SMI-4.1) id AA12075; Sun, 30 Apr 95 15:21:47 PDT Date: Sun, 30 Apr 95 15:21:47 PDT From: glee@chem0sun.calstatela.edu (Ging Lee 12-06-90) Message-Id: <9504302221.AA12075@chem0sun.calstatela.edu> To: chemistry@ccl.net Subject: fullerene sites Dear Netters I would like to know the "ftp" site for getting the coordinates of C60, C60H6, C60Cl6, C60Br6, C60Br24 etc. I vaguely remember that few months back in OSC there were few mails stating the availability of these coordinates. Kindly inform me at the earliest possible. Furthermore, I also would like to know the EHT parameters for Bromine. Any reference or clue is welcome. I will summarise the results to all netters. This I need it very urgently. Thanking you Sumathy ipcakc@vigyan.iisc.ernet.in I seem to remember the following two sites were the earlier people to compile fullerene infos: physics.arizona.edu fullerenes buffs www.ccl.net(128.146.36.48) /pub/chemistry/fullerenes You should be able to get to them via ftp, but I have not tried for a long time. Hope it helps.. No can do about your EHT parameters. Ging Lee