From owner-chemistry@ccl.net Sun Jul 16 19:43:00 2006 From: "Neeraj Misra misraneeraj~~gmail.com" To: CCL Subject: CCL: gaussian calculations Message-Id: <-32150-060716194220-22389-0aIcy8BCDjCpfpE0JeUA6A]_[server.ccl.net> X-Original-From: "Neeraj Misra" Date: Sun, 16 Jul 2006 19:42:18 -0400 Sent to CCL by: "Neeraj Misra" [misraneeraj-*-gmail.com] HOW CAN WE PERFORM AB INITIO CALCULATIONS (AND WHAT TYPE) ON A CHEMICAL REACTION.WHAT ARE THE POSSIBILITIES OF CALCULATIONS AND IMPORTANCE TOO. ANY HELP WOULD BE GREATLY ACKNOWLEDGED. THANKS IN ADVANCE