From owner-chemistry@ccl.net Sun Apr 20 14:57:01 2008 From: "Amin Ordikhani-Seyedlar a.ordikhani/a\gmail.com" To: CCL Subject: CCL:G: Learning Computational Message-Id: <-36789-080420063806-11019-MsQdj6iF0iSRSe4zI28JXw*server.ccl.net> X-Original-From: "Amin Ordikhani-Seyedlar" Date: Sun, 20 Apr 2008 06:38:02 -0400 Sent to CCL by: "Amin Ordikhani-Seyedlar" [a.ordikhani:_:gmail.com] Hi all, apologize me for taking your time with my low level question. I'm a master student of analytical chemistry but really keen to learn computational (as it is so powerful). I have some beginner experiments on Gaussian03. I wanna predict the behaviour of molecules in different situations and ... I wanna ask you if you were me how you would start learning? There is no one in my university that can help me so I have to learn from books and also CCL really helps me. Thanks in advance. From owner-chemistry@ccl.net Sun Apr 20 17:19:00 2008 From: "=?ISO-8859-1?Q?Sina_T=FCreli?= sinatureli:-:gmail.com" To: CCL Subject: CCL:G: Learning Computational Message-Id: <-36790-080420171637-27580-xBBwPnn+gjcOCqifGi3PHQ[#]server.ccl.net> X-Original-From: "=?ISO-8859-1?Q?Sina_T=FCreli?=" Content-Type: multipart/alternative; boundary="----=_Part_3496_33218091.1208722391347" Date: Sun, 20 Apr 2008 23:13:11 +0300 MIME-Version: 1.0 Sent to CCL by: "=?ISO-8859-1?Q?Sina_T=FCreli?=" [sinatureli*o*gmail.com] ------=_Part_3496_33218091.1208722391347 Content-Type: text/plain; charset=ISO-8859-1 Content-Transfer-Encoding: 7bit Content-Disposition: inline I would advise you to look beyond your own department. I assume you are in chemistry but you might find such a teacher at chemical engineering, molecular biology or physics departments. If you want a book Molecular Modeling: Principals and Applications - Andrew R. Leach gives a broad over view of molecular modeling starting from its basics to its application in specific areas like protein folding and drug modeling. It might help you get an overview the subjects that you might study in this area. To get more specific information, you will need to look for more specific topics like drug modeling, protein folding, computational spectroscopy, computational biophysics etc. This book is however a little over just using tools levels, and will tell you about how they internally work. You said that you want to determine the properties of molecules. For instance if that is spectroscopic character you want to look at, I could advise you ArgusLab. As I said even just spectroscopic character of molecules is a subject all on its own. On Sun, Apr 20, 2008 at 1:38 PM, Amin Ordikhani-Seyedlar a.ordikhani/ agmail.com wrote: > Sent to CCL by: "Amin Ordikhani-Seyedlar" [a.ordikhani:_:gmail.com] > Hi all, > apologize me for taking your time with my low level question. I'm a master > student of analytical chemistry but really keen to learn computational (as > it is so powerful). I have some beginner experiments on Gaussian03. I wanna > predict the behaviour of molecules in different situations and ... > I wanna ask you if you were me how you would start learning? There is no > one in my university that can help me so I have to learn from books and also > CCL really helps me. > Thanks in advance.> -- "Vectors have never been of the slightest use to any creature. Quaternions came from Hamilton after his really good work had been done; and though beautifully ingenious, have been an unmixed evil to those who have touched them in any way, including Maxwell." - Lord Kelvin ------=_Part_3496_33218091.1208722391347 Content-Type: text/html; charset=ISO-8859-1 Content-Transfer-Encoding: 7bit Content-Disposition: inline
I would advise you to look beyond your own department. I assume you are in chemistry but you might find such a teacher at chemical engineering, molecular biology or physics departments.
 
If you want a book Molecular Modeling: Principals and Applications - Andrew R. Leach gives a broad over view of molecular modeling starting from its basics to its application in specific areas like protein folding and drug modeling. It might help you get an overview the subjects that you might study in this area. To get more specific information, you will need to look for more specific topics like drug modeling, protein folding, computational spectroscopy, computational biophysics etc. This book is however a little over just using tools levels, and will tell you about how they internally work.
 
You said that you want to determine the properties of molecules. For instance if that is spectroscopic character you want to look at, I could advise you ArgusLab. As I said even just spectroscopic character of molecules is a subject all on its own.
 
 
On Sun, Apr 20, 2008 at 1:38 PM, Amin Ordikhani-Seyedlar a.ordikhani/agmail.com <owner-chemistry]-[ccl.net> wrote:
Sent to CCL by: "Amin  Ordikhani-Seyedlar" [a.ordikhani:_:gmail.com]
Hi all,
apologize me for taking your time with my low level question. I'm a master student of analytical chemistry but really keen to learn computational (as it is so powerful). I have some beginner experiments on Gaussian03. I wanna predict the behaviour of molecules in different situations and ...
I wanna ask you if you were me how you would start learning? There is no one in my university that can help me so I have to learn from books and also CCL really helps me.
Thanks in advance.
E-mail to subscribers: CHEMISTRY]-[ccl.net or use:
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Subscribe/Unsubscribe:
Before posting, check wait time at: http://www.ccl.net
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"Vectors have never been of the slightest use to any creature. Quaternions came from Hamilton after his really good work had been done; and though beautifully ingenious, have been an unmixed evil to those who have touched them in any way, including Maxwell." - Lord Kelvin
------=_Part_3496_33218091.1208722391347-- From owner-chemistry@ccl.net Sun Apr 20 23:11:00 2008 From: "frank ducheneaux vlceks{:}gmail.com" To: CCL Subject: CCL:G: Learning Computational Message-Id: <-36791-080420213003-5130-dQyEjt0ksE2GrixwJQJXqA]![server.ccl.net> X-Original-From: "frank ducheneaux" Content-Type: multipart/alternative; boundary="----=_Part_157_29558571.1208737434807" Date: Sun, 20 Apr 2008 18:23:54 -0600 MIME-Version: 1.0 Sent to CCL by: "frank ducheneaux" [vlceks%x%gmail.com] ------=_Part_157_29558571.1208737434807 Content-Type: text/plain; charset=ISO-8859-1 Content-Transfer-Encoding: quoted-printable Content-Disposition: inline I just wanna second the recommendation for Molecular Modeling: Principals and Applications - Andrew R. Leach. Good, comprehensive starter. On 4/20/08, Sina T=FCreli sinatureli:-:gmail.com wrote: > > I would advise you to look beyond your own department. I assume you are i= n > chemistry but you might find such a teacher at chemical engineering, > molecular biology or physics departments. > > If you want a book Molecular Modeling: Principals and Applications - > Andrew R. Leach gives a broad over view of molecular modeling starting fr= om > its basics to its application in specific areas like protein folding and > drug modeling. It might help you get an overview the subjects that you mi= ght > study in this area. To get more specific information, you will need to lo= ok > for more specific topics like drug modeling, protein folding, computation= al > spectroscopy, computational biophysics etc. This book is however a little > over just using tools levels, and will tell you about how they internally > work. > > You said that you want to determine the properties of molecules. For > instance if that is spectroscopic character you want to look at, I could > advise you ArgusLab. As I said even just spectroscopic character of > molecules is a subject all on its own. > > > On Sun, Apr 20, 2008 at 1:38 PM, Amin Ordikhani-Seyedlar a.ordikhani/ > agmail.com wrote: > > > Sent to CCL by: "Amin Ordikhani-Seyedlar" [a.ordikhani:_:gmail.com] > > Hi all, > > apologize me for taking your time with my low level question. I'm a > > master student of analytical chemistry but really keen to learn > > computational (as it is so powerful). I have some beginner experiments = on > > Gaussian03. I wanna predict the behaviour of molecules in different > > situations and ... > > I wanna ask you if you were me how you would start learning? There is n= o > > one in my university that can help me so I have to learn from books and= also > > CCL really helps me. > > Thanks in advance. > > E-mail to subscribers: CHEMISTRY!A!ccl.net or use:> > E-mail to administrators: CHEMISTRY-REQUEST!A!ccl.net or use> > Search Messages: http://www.ccl.net/htdig (login: ccl, Password: > > search)> > > -- > "Vectors have never been of the slightest use to any creature. Quaternion= s > came from Hamilton after his really good work had been done; and though > beautifully ingenious, have been an unmixed evil to those who have touche= d > them in any way, including Maxwell." - Lord Kelvin > --=20 Frank D. Ducheneaux "A hard life is not one full of trial and rigor, but one bereft of option and opportunity" ------=_Part_157_29558571.1208737434807 Content-Type: text/html; charset=ISO-8859-1 Content-Transfer-Encoding: quoted-printable Content-Disposition: inline I just wanna second the recommendation for Molecular Modeling: Principals a= nd Applications - Andrew R. Leach.  Good, comprehensive starter.
On 4/20/08, = Sina T=FCreli sinatureli:-:gmail.com &= lt;owner-chemistry .. ccl.net&g= t; wrote:
I would advise you to look beyond your own department. I assume you ar= e in chemistry but you might find such a teacher at chemical engineering, m= olecular biology or physics departments.
 
If you want a book Molecular Modeling: Principals and Applications - A= ndrew R. Leach gives a broad over view of molecular modeling starting from = its basics to its application in specific areas like protein folding and dr= ug modeling. It might help you get an overview the subjects that you might = study in this area. To get more specific information, you will need to look= for more specific topics like drug modeling, protein folding, computationa= l spectroscopy, computational biophysics etc. This book is however a little= over just using tools levels, and will tell you about how they internally = work.
 
You said that you want to determine the properties of molecules. For i= nstance if that is spectroscopic character you want to look at, I could adv= ise you ArgusLab. As I said even just spectroscopic character of molecules = is a subject all on its own.
 
 
On Sun, Apr 20, 2008 at 1:38 PM, Amin Ordikhani-Seyedlar a.ordikhani/<= a onclick=3D"return top.js.OpenExtLink(window,event,this)" href=3D"http://a= gmail.com/" target=3D"_blank">agmail.com <owner-chemistry!A!ccl.net> wrote:
Sent to CCL by: "Amin  Ordikhani-Seyedlar" [a.ordikhani= :_:gmail.com]
Hi all,
apologize me for taking your time with my low level question. I'm = a master student of analytical chemistry but really keen to learn computati= onal (as it is so powerful). I have some beginner experiments on Gaussian03= . I wanna predict the behaviour of molecules in different situations and ..= .
I wanna ask you if you were me how you would start learning? There is = no one in my university that can help me so I have to learn from books and = also CCL really helps me.
Thanks in advance.
E-mail to subscribers: CHEMISTR= Y!A!ccl.net or use:
E-mail to administrators: CHEMISTRY-REQUEST!A!ccl.net or use
Subscribe/Unsubscribe:
Before posting, check wait time at: ht= tp://www.ccl.net
--
"Vectors have never been of the slightest use to any creature. Qu= aternions came from Hamilton after his really good work had been done; and = though beautifully ingenious, have been an unmixed evil to those who have t= ouched them in any way, including Maxwell." - Lord Kelvin



--
Frank D. Duchene= aux

"A hard life is not one full of trial and rigor, but one be= reft of option
and opportunity"=20 ------=_Part_157_29558571.1208737434807--