From chemistry-request- at -server.ccl.net Tue Mar 19 17:52:20 2002 Received: from imo-m04.mx.aol.com ([64.12.136.7]) by server.ccl.net (8.11.6/8.11.0) with ESMTP id g2JMqKp16646 for ; Tue, 19 Mar 2002 17:52:20 -0500 Received: from Jalbout5551 %-% at %-% aol.com by imo-m04.mx.aol.com (mail_out_v32.5.) id g.135.b3760ba (25916) for ; Tue, 19 Mar 2002 17:52:01 -0500 (EST) From: Jalbout5551&$at$&aol.com Message-ID: <135.b3760ba.29c91b11 /at\aol.com> Date: Tue, 19 Mar 2002 17:52:01 EST Subject: Fractional Charges To: CHEMISTRY /at\ccl.net MIME-Version: 1.0 Content-Type: multipart/alternative; boundary="part1_135.b3760ba.29c91b11_boundary" X-Mailer: AOL 6.0 for Windows US sub 10564 --part1_135.b3760ba.29c91b11_boundary Content-Type: text/plain; charset="US-ASCII" Content-Transfer-Encoding: 7bit Dear Colleagues: Is it possible in GAUSSIAN to calculate atoms nuclear charges? For example: F(-1/3), where the the monatomic system is X and the charge is Z so the ground state is F(0) (in the above case)? If it cannot can you recommend a pacakge that will? Best Wishes; Abraham F. Jalbout Department of Chemistry University of New Orleans --part1_135.b3760ba.29c91b11_boundary Content-Type: text/html; charset="US-ASCII" Content-Transfer-Encoding: 7bit Dear Colleagues:

Is it possible in GAUSSIAN to calculate atoms nuclear charges? For example:

F(-1/3),

where the the monatomic system is X and the charge is Z so the ground state is F(0) (in the above case)?

If it cannot can you recommend a pacakge that will?




Best Wishes;

Abraham F. Jalbout
Department of Chemistry
University of New Orleans

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