From owner-chemistry@ccl.net Sun Oct 6 01:44:00 2013 From: "rachelle bienstock rachelleb1(-)gmail.com" To: CCL Subject: CCL: submit Abstracts for " Cancer Bioinformatics:" Message-Id: <-49221-131005224625-22648-pH/YGJAQbWXcFxQLiDZ8qQ---server.ccl.net> X-Original-From: "rachelle bienstock" Date: Sat, 5 Oct 2013 22:46:24 -0400 Sent to CCL by: "rachelle bienstock" [rachelleb1 ~~ gmail.com] I am assisting with organizing: "Translational Cancer Bioinformatics: data, methods, and application"? for the upcoming American Chemical Society meeting to be held in Dallas Texas in March 2014. If you have interest in submitting an abstract and/or presenting at this symposium, within the Division of Chemical Information (CINF) general meeting information can be found here http://www.acs.org/content/acs/en/meetings/spring-2014.html . Information related to our symposium can be found here http://abstracts.acs.org/chem/247nm/meetingview.php?page=session&par_id=617 " Translational Cancer Bioinformatics: data, methods, and application"? Description: Cancer is a complex disease. The large scale data available today will significantly help us understand cancer biology and accelerate development of novel methods for personalized cancer therapy and diagnosis. Therefore, analyzing the big data and implementing powerful software tools will stimulate insights and ideas for novel translational cancer research. This symposium promotes novel tools and techniques that help manage, integrate, curate, visualize, analyze, and interpret big data from genomics, bioinformatics and cheminformatics. Their application to cancer prevention, diagnosis and therapy will be highly appreciated. From owner-chemistry@ccl.net Sun Oct 6 13:29:00 2013 From: "Basma Ghazal basmaghazal*ymail.com" To: CCL Subject: CCL: mechanism of michael addition reaction Message-Id: <-49222-131006132512-11630-0jtokRp/jbtQJvYadJjo0Q() server.ccl.net> X-Original-From: Basma Ghazal Content-Type: multipart/alternative; boundary="533417561-462424580-1381080305=:11597" Date: Sun, 6 Oct 2013 10:25:05 -0700 (PDT) MIME-Version: 1.0 Sent to CCL by: Basma Ghazal [basmaghazal:_:ymail.com] --533417561-462424580-1381080305=:11597 Content-Type: text/plain; charset=iso-8859-1 Content-Transfer-Encoding: quoted-printable =A0Dear all:=0ACould anybody help me how to study the mechanism of Michael = addition reaction using quantum mechanics?=0AAny supported paper will be us= eful for clarification.=0ABest Regards=0A=0A=A0=0A-------------------------= ----------=0ABasma S. Ghazal=0AMSc. Organic Chemistry=0ATherapeutical Chemi= stry Department =0ANational Research Center, Egypt.=0A=0AE-mail : basmaghaz= al],[ymail.com=0A=A0=A0=A0=A0=A0=A0=A0=A0=A0basmaghazal],[gmail.com --533417561-462424580-1381080305=:11597 Content-Type: text/html; charset=iso-8859-1 Content-Transfer-Encoding: quoted-printable
 Dear all:
Could anybody help me how to = study the mechanism of Michael addition reaction using quantum mechanics?Any supported paper will be useful for clarification.
Best Regards

 
---------= --------------------------
Basma S. = Ghazal
MSc. Organic Chemistry
Therapeutical Chem= istry Department
National Research Center, Egypt.
E-mail : basmaghazal= ],[ymail.com
    =      basmaghazal],[gmail.com<= /SPAN>

--533417561-462424580-1381080305=:11597-- From owner-chemistry@ccl.net Sun Oct 6 23:09:00 2013 From: "kaushik hatua kaushikchemhatua{=}gmail.com" To: CCL Subject: CCL: how to vary electric field in hyperpolarizability calculation in g09 Message-Id: <-49223-131006224210-21317-BWuJmKf+6VIFjmFmzwNXQw[-]server.ccl.net> X-Original-From: "kaushik hatua" Date: Sun, 6 Oct 2013 22:42:09 -0400 Sent to CCL by: "kaushik hatua" [kaushikchemhatua-x-gmail.com] Dear all I like to know how could one vary the electric field in numerical differentiation of electric and vibrational hyperpolarizability in GAMESS or in G09.