From owner-chemistry@ccl.net Sun May 1 11:35:00 2011 From: "Deepangi Pandit Deepangi.Pandit_-_gmail.com" To: CCL Subject: CCL: To begin with computational chemistry: Clarification Message-Id: <-44508-110501113359-1613-1J0ATu9zCQCMGWp+EdaQ+g(_)server.ccl.net> X-Original-From: "Deepangi Pandit" Date: Sun, 1 May 2011 11:33:57 -0400 Sent to CCL by: "Deepangi Pandit" [Deepangi.Pandit!=!gmail.com] I would like to clarify to the CCL list that I did not know that the online version of the textbook was made available without permission of the Author/Publisher. Google search provided that link. There are many examples were others books are made available online with proper authorization. My intention was only to help the person who asked the question. Thank you. Regards, Deepa From owner-chemistry@ccl.net Sun May 1 12:09:00 2011 From: "Jason D Acchioli jdacchio||gmail.com" To: CCL Subject: CCL: To begin with computational chemistry Message-Id: <-44509-110430232317-20658-GIjxcwZcuzXcnh929bvV5g ~ server.ccl.net> X-Original-From: "Jason D'Acchioli" Content-transfer-encoding: 7bit Content-type: text/plain; charset="US-ASCII" Date: Sat, 30 Apr 2011 22:22:30 -0500 Mime-version: 1.0 Sent to CCL by: "Jason D'Acchioli" [jdacchio]^[gmail.com] Chris, Don't be reluctant to devote time to a third printing; this is--for me--the authoritative treatise on modern computational chemistry. I'd be willing to shell out the bucks for a new copy (and so would my library!), and I guarantee other professionals on this site would as well. Piracy is something the lawyers should (will, I hope) sort out. Be well, Jason ******************************************* Jason D'Acchioli Assistant Professor of Chemistry University of Wisconsin-Stevens Point 2001 Fourth Avenue Stevens Point, WI 54481 http://chemdac.uwsp.edu On 4/30/11 1:46 PM, "Christopher Cramer cramer+/-umn.edu" wrote: > >Sent to CCL by: Christopher Cramer [cramer-$-umn.edu] >My... > >The least you can do if you're going to steal the book, and post it >online for piracy, is choose a later printing -- then people won't have >to refer to so many errata. > >Now I recall why I've been reluctant to devote the time to a 3rd >edition... > >CJC > >On Apr 30, 2011, at 12:30 PM, Deepangi Pandit deepangi.pandita/gmail.com >wrote: > >> >> Sent to CCL by: Deepangi Pandit [deepangi.pandit_-_gmail.com] >> Hi Bhargav: >> You can refer "Essentials of Computational Chemistry: Theories and >> Models" by Christopher J. Cramer >> >> >>http://kimia.unnes.ac.id/kasmui/textbooks/Essentials%20of%20Computational >>%20Chemistry%20Theories%20and%20Models%202d%20Ed%20-%20Christopher%20J.%2 >>0Cramer.pdf >> >> ShortURL >> >> http://alturl.com/jks5j >> >> Also please feel free to browse >> >> http://static.msi.umn.edu/tutorial/chemistryphysics/IntroCompChem.pdf >> >> I believe these are good starting points and based on your interests >> you can explore the topic/s further. >> >> Regards, >> Deepa >> >> >> >> On Sat, Apr 30, 2011 at 6:20 AM, Bhargav Trivedi >> bhargavatrivedi*|*gmail.com wrote: >>> >>> Sent to CCL by: "Bhargav Trivedi" [bhargavatrivedi[-]gmail.com] >>> Dear all, >>> I would like to learn computational chemistry. Please tell me how can >>>I prepare for it. >>> I am an M Sc PhD with Physical chemistry & an academician since last >>>16 years. I teach thermodynamics and electrochemistry to under >>>graduates. >>> Thanks a lot: >>> Dr. Bhargav Trivedi, >>> Associate Professor of Chemistry, >>> J & J College of science, >>> Nadiad, Gujarat. >>> India> >> > >-- > >Christopher J. Cramer >Elmore H. Northey Professor >University of Minnesota >Department of Chemistry >207 Pleasant St. SE >Minneapolis, MN 55455-0431 >-------------------------- >Phone: (612) 624-0859 || FAX: (612) 626-7541 >Mobile: (952) 297-2575 >email: cramer,+,umn.edu >jabber: cramer,+,jabber.umn.edu >http://pollux.chem.umn.edu/~cramer >(website includes information about the textbook "Essentials > of Computational Chemistry: Theories and Models, 2nd Edition")> > From owner-chemistry@ccl.net Sun May 1 12:45:00 2011 From: "Deepangi Pandit deepangi.pandit,+,gmail.com" To: CCL Subject: CCL: To begin with computational chemistry Message-Id: <-44510-110501003810-7123-Ytgnc2ok7/q3WsmzsFq7Ug ~~ server.ccl.net> X-Original-From: Deepangi Pandit Content-Transfer-Encoding: 8bit Content-Type: text/plain; charset=ISO-8859-1 Date: Sun, 1 May 2011 00:38:00 -0400 MIME-Version: 1.0 Sent to CCL by: Deepangi Pandit [deepangi.pandit=-=gmail.com] I would like to clarify to the CCL list that I did not know that the online version of the textbook was made available without permission of the Author/Publisher. Google search provided that link. Deepa On Sat, Apr 30, 2011 at 5:13 PM, David A Mannock dmannock(-)ualberta.ca wrote: > Chris, as a newbie to computational chemistry, I try to use every resource > that I can get hold of. I have to admit that I sometimes pirate electronic > copies to help me search texts which are often long and complicated. A > recent point relevant to this issue is Jacob Israelachvili's "Intermolecular > and surface forces", 2nd Edn. As our lab copy disappeared into a black hole > known as my colleagues basement, I found a pirated online copy of this > essential text. I later bought a second-hand hard copy, while awaiting the > appearance of the 3rd Edition, which was due to appear in 2010, but came out > in 2011. I have read the 1991 2nd edition cover to cover and have returned > to it in order to refresh my memory many times. After talking to Jacob > Israelachvili, he explained the delays in getting the 3rd edition to press > and told me when it would be available. Within a week of it coming off the > presses, I had bought a copy from Amazon out of my own pocket. The new > edition is several hundred pages longer than the previous copy and an > electronic version would be useful to me. It is a beautifully written > masterpiece in my opinion. However, many publishers are slow in their move > into the electronic realm. This is where the future lies. > > My job ends here on June 30th, 2011, but I still have responsibilities for > writing up papers for a student. I will not have access to online library > facilities here because of local University policy. Despite this, I would > still be willing to buy a new edition of your book to help with my > calculations on my Linux box. I would do this out of my own pocket if need > be. > > As I see it, one of the main purposes of text books is to put all of the > knowledge in a certain area in one place for ease of reference. I think that > this is very valuable for those of us who do research and those who teach. > Putting together a new edition of your book would be recognized as a > valuable contribution by people in this scientific area, but rather than be > pessimistic about piracy, ask your publishers to make an electronic copy > available for sale at 50% of the price of the softcover. A university could > either buy a yearly site license for distribution to students at a lower > price, or the institution could host a copy which could be read online, but > not downloaded. There will always be people who want to get something for > nothing and who are willing to remove the encryption on electronic media, > the simplest solution is to make the text available at a lower cost for > academic use and make some money rather than none. You should be talking to > your publisher about this policy, as it will help their bottom line and your > standard of living in your retirement!! So cheer up and realize that old > dogs, like myself, would rather sit on a sun lounger on my back porch > reading your new edition, than sitting at a computer screen in the lab or in > my study! David Mannock > > On Sat, Apr 30, 2011 at 12:46 PM, Christopher Cramer cramer+/-umn.edu > wrote: >> >> Sent to CCL by: Christopher Cramer [cramer-$-umn.edu] >> My... >> >> The least you can do if you're going to steal the book, and post it online >> for piracy, is choose a later printing -- then people won't have to refer to >> so many errata. >> >> Now I recall why I've been reluctant to devote the time to a 3rd >> edition... >> >> CJC >> >> On Apr 30, 2011, at 12:30 PM, Deepangi Pandit deepangi.pandita/gmail.com >> wrote: >> >> > >> > Sent to CCL by: Deepangi Pandit [deepangi.pandit_-_gmail.com] >> > Hi Bhargav: >> > You can refer "Essentials of Computational Chemistry: Theories and >> > Models" by Christopher J. Cramer >> > >> > >> > http://kimia.unnes.ac.id/kasmui/textbooks/Essentials%20of%20Computational%20Chemistry%20Theories%20and%20Models%202d%20Ed%20-%20Christopher%20J.%20Cramer.pdf >> > >> > ShortURL >> > >> > http://alturl.com/jks5j >> > >> > Also please feel free to browse >> > >> > http://static.msi.umn.edu/tutorial/chemistryphysics/IntroCompChem.pdf >> > >> > I believe these are good starting points and based on your interests >> > you can explore the topic/s further. >> > >> > Regards, >> > Deepa >> > >> > >> > >> > On Sat, Apr 30, 2011 at 6:20 AM, Bhargav Trivedi >> > bhargavatrivedi*|*gmail.com wrote: >> >> >> >> Sent to CCL by: "Bhargav  Trivedi" [bhargavatrivedi[-]gmail.com] >> >> Dear all, >> >> I would like to learn computational chemistry. Please tell me how can I >> >> prepare for it. >> >> I am an M Sc PhD with Physical chemistry & an academician since last 16 >> >> years. I teach thermodynamics and electrochemistry to under graduates. >> >> Thanks a lot: >> >> Dr. Bhargav Trivedi, >> >> Associate Professor of Chemistry, >> >> J & J College of science, >> >> Nadiad, Gujarat. >> >> India> >> > >> >> -- >> >> Christopher J. Cramer >> Elmore H. Northey Professor >> University of Minnesota >> Department of Chemistry >> 207 Pleasant St. SE >> Minneapolis, MN 55455-0431 >> -------------------------- >> Phone:  (612) 624-0859 || FAX:  (612) 626-7541 >> Mobile: (952) 297-2575 >> email:  cramer,+,umn.edu >> jabber:  cramer,+,jabber.umn.edu >> http://pollux.chem.umn.edu/~cramer >> (website includes information about the textbook "Essentials >>    of Computational Chemistry:  Theories and Models, 2nd Edition")>> E-mail to subscribers: CHEMISTRY++ccl.net or use: >>      http://www.ccl.net/cgi-bin/ccl/send_ccl_message >> >> E-mail to administrators: CHEMISTRY-REQUEST++ccl.net or use >>      http://www.ccl.net/cgi-bin/ccl/send_ccl_message>>      http://www.ccl.net/chemistry/sub_unsub.shtml>>      http://www.ccl.net/spammers.txt>> >> > > From owner-chemistry@ccl.net Sun May 1 13:20:00 2011 From: "jaleel uc jaleel.uc%x%gmail.com" To: CCL Subject: CCL: To begin with computational chemistry Message-Id: <-44511-110430225400-10994-2/seb8LrI7I1vdV4ipGQNQ\a/server.ccl.net> X-Original-From: jaleel uc Content-Type: multipart/alternative; boundary=0003255579764b2ef204a22e048c Date: Sun, 1 May 2011 08:23:51 +0530 MIME-Version: 1.0 Sent to CCL by: jaleel uc [jaleel.uc#,#gmail.com] --0003255579764b2ef204a22e048c Content-Type: text/plain; charset=ISO-8859-1 From practical point of view hyperchem manual is a good start jaleel Malabar christian college calicut kerala india On Sun, May 1, 2011 at 2:43 AM, David A Mannock dmannock(-)ualberta.ca < owner-chemistry-$-ccl.net> wrote: > Chris, as a newbie to computational chemistry, I try to use every resource > that I can get hold of. I have to admit that I sometimes pirate electronic > copies to help me search texts which are often long and complicated. A > recent point relevant to this issue is Jacob Israelachvili's "Intermolecular > and surface forces", 2nd Edn. As our lab copy disappeared into a black hole > known as my colleagues basement, I found a pirated online copy of this > essential text. I later bought a second-hand hard copy, while awaiting the > appearance of the 3rd Edition, which was due to appear in 2010, but came out > in 2011. I have read the 1991 2nd edition cover to cover and have returned > to it in order to refresh my memory many times. After talking to Jacob > Israelachvili, he explained the delays in getting the 3rd edition to press > and told me when it would be available. Within a week of it coming off the > presses, I had bought a copy from Amazon out of my own pocket. The new > edition is several hundred pages longer than the previous copy and an > electronic version would be useful to me. It is a beautifully written > masterpiece in my opinion. However, many publishers are slow in their move > into the electronic realm. This is where the future lies. > > My job ends here on June 30th, 2011, but I still have responsibilities for > writing up papers for a student. I will not have access to online library > facilities here because of local University policy. Despite this, I would > still be willing to buy a new edition of your book to help with my > calculations on my Linux box. I would do this out of my own pocket if need > be. > > As I see it, one of the main purposes of text books is to put all of the > knowledge in a certain area in one place for ease of reference. I think that > this is very valuable for those of us who do research and those who teach. > Putting together a new edition of your book would be recognized as a > valuable contribution by people in this scientific area, but rather than be > pessimistic about piracy, ask your publishers to make an electronic copy > available for sale at 50% of the price of the softcover. A university could > either buy a yearly site license for distribution to students at a lower > price, or the institution could host a copy which could be read online, but > not downloaded. There will always be people who want to get something for > nothing and who are willing to remove the encryption on electronic media, > the simplest solution is to make the text available at a lower cost for > academic use and make some money rather than none. You should be talking to > your publisher about this policy, as it will help their bottom line and your > standard of living in your retirement!! So cheer up and realize that old > dogs, like myself, would rather sit on a sun lounger on my back porch > reading your new edition, than sitting at a computer screen in the lab or in > my study! David Mannock > > On Sat, Apr 30, 2011 at 12:46 PM, Christopher Cramer cramer+/-umn.edu < > owner-chemistry++ccl.net> wrote: > >> >> Sent to CCL by: Christopher Cramer [cramer-$-umn.edu] >> My... >> >> The least you can do if you're going to steal the book, and post it online >> for piracy, is choose a later printing -- then people won't have to refer to >> so many errata. >> >> Now I recall why I've been reluctant to devote the time to a 3rd >> edition... >> >> CJC >> >> On Apr 30, 2011, at 12:30 PM, Deepangi Pandit deepangi.pandita/gmail.comwrote: >> >> > >> > Sent to CCL by: Deepangi Pandit [deepangi.pandit_-_gmail.com] >> > Hi Bhargav: >> > You can refer "Essentials of Computational Chemistry: Theories and >> > Models" by Christopher J. Cramer >> > >> > >> http://kimia.unnes.ac.id/kasmui/textbooks/Essentials%20of%20Computational%20Chemistry%20Theories%20and%20Models%202d%20Ed%20-%20Christopher%20J.%20Cramer.pdf >> > >> > ShortURL >> > >> > http://alturl.com/jks5j >> > >> > Also please feel free to browse >> > >> > http://static.msi.umn.edu/tutorial/chemistryphysics/IntroCompChem.pdf >> > >> > I believe these are good starting points and based on your interests >> > you can explore the topic/s further. >> > >> > Regards, >> > Deepa >> > >> > >> > >> > On Sat, Apr 30, 2011 at 6:20 AM, Bhargav Trivedi >> > bhargavatrivedi*|*gmail.com wrote: >> >> >> >> Sent to CCL by: "Bhargav Trivedi" [bhargavatrivedi[-]gmail.com] >> >> Dear all, >> >> I would like to learn computational chemistry. Please tell me how can I >> prepare for it. >> >> I am an M Sc PhD with Physical chemistry & an academician since last 16 >> years. I teach thermodynamics and electrochemistry to under graduates. >> >> Thanks a lot: >> >> Dr. Bhargav Trivedi, >> >> Associate Professor of Chemistry, >> >> J & J College of science, >> >> Nadiad, Gujarat. >> >> India> >> > >> >> -- >> >> Christopher J. Cramer >> Elmore H. Northey Professor >> University of Minnesota >> Department of Chemistry >> 207 Pleasant St. SE >> Minneapolis, MN 55455-0431 >> -------------------------- >> Phone: (612) 624-0859 || FAX: (612) 626-7541 >> Mobile: (952) 297-2575 >> email: cramer,+,umn.edu >> jabber: cramer,+,jabber.umn.edu >> http://pollux.chem.umn.edu/~cramer >> (website includes information about the textbook "Essentials >> of Computational Chemistry: Theories and Models, 2nd Edition")>> E-mail to subscribers: CHEMISTRY++ccl.net or use:>> >> E-mail to administrators: CHEMISTRY-REQUEST++ccl.net or use>> >> >> > -- Dr UCA JALEEL Asst Professor in cheminformatics UGC AIDED Centre for cheminformatics MCC calicut phone --0003255579764b2ef204a22e048c Content-Type: text/html; charset=ISO-8859-1 Content-Transfer-Encoding: quoted-printable =A0From practical point of view=A0 hyperchem manual is a good start
jaleel
Malabar christian college
calicut=A0 kerala india

On Sun, May 1, 2011 at 2:43 AM, David A Mannoc= k dmannock(-)ualberta.ca <owner-chemistry-$-ccl.net> wrote:
Chris, as a newbi= e to computational chemistry, I try to use every resource that I can get ho= ld of. I have to admit that I sometimes pirate electronic copies to help me= search texts which are often long and complicated. A recent point relevant= to this issue is Jacob Israelachvili's "Intermolecular and surfac= e forces", 2nd Edn. As our lab copy disappeared into a black hole know= n as my colleagues basement, I found a pirated online copy of this essentia= l text. I later bought a second-hand hard copy, while awaiting the appearan= ce of the 3rd Edition, which was due to appear in 2010, but came out in 201= 1. I have read the 1991 2nd edition cover to cover and have returned to it = in order to refresh my memory many times. After talking to Jacob Israelachv= ili, he explained the delays in getting the 3rd edition to press and told m= e when it would be available. Within a week of it coming off the presses, I= had bought a copy from Amazon out of my own pocket. The new edition is sev= eral hundred pages longer than the previous copy and an electronic version = would be useful to me. It is a beautifully written masterpiece in my opinio= n. However, many publishers are slow in their move into the electronic real= m. This is where the future lies.

My job ends here on June 30th, 2011, but I still have responsibilities = for writing up papers for a student. I will not have access to online libra= ry facilities here because of local University policy. Despite this, I woul= d still be willing to buy a new edition of your book to help with my calcul= ations on my Linux box. I would do this out of my own pocket if need be.
As I see it, one of the main purposes of text books is to put all of th= e knowledge in a certain area in one place for ease of reference. I think t= hat this is very valuable for those of us who do research and those who tea= ch. Putting together a new edition of your book would be recognized as a va= luable contribution by people in this scientific area, but rather than be p= essimistic about piracy, ask your publishers to make an electronic copy ava= ilable for sale at 50% of the price of the softcover. A university could ei= ther buy a yearly site license for distribution to students at a lower pric= e, or the institution could host a copy which could be read online, but not= downloaded. There will always be people who want to get something for noth= ing and who are willing to remove the encryption on electronic media, the s= implest solution is to make the text available at a lower cost for academic= use and make some money rather than none. You should be talking to your pu= blisher about this policy, as it will help their bottom line and your stand= ard of living in your retirement!! So cheer up and realize that old dogs, l= ike myself, would rather sit on a sun lounger on my back porch reading your= new edition, than sitting at a computer screen in the lab or in my study! = David Mannock=A0

=

Sent to CCL by: Christopher Cramer [cramer-$-umn.edu]
My...

The least you can do if you're going to steal the book, and post it onl= ine for piracy, is choose a later printing -- then people won't have to= refer to so many errata.

Now I recall why I've been reluctant to devote the time to a 3rd editio= n...

CJC

On Apr 30, 2011, at 12:30 PM, Deepangi Pandit deepangi.pandita/gmail.com wrote:

>
> Sent to CCL by: Deepangi Pandit [deepangi.pandit_-_gmail.com]
> Hi Bhargav:
> You can refer "Essentials of Computational Chemistry: Theories an= d
> Models" by Christopher J. Cramer
>
> http://kimia.unnes.ac.id/kasmui/= textbooks/Essentials%20of%20Computational%20Chemistry%20Theories%20and%20Mo= dels%202d%20Ed%20-%20Christopher%20J.%20Cramer.pdf
>
> ShortURL
>
> http://alturl.co= m/jks5j
>
> Also please feel free to browse
>
> http://static.msi.umn.edu/tutorial/chemistryp= hysics/IntroCompChem.pdf
>
> I believe these are good starting points and based on your interests > you can explore the topic/s further.
>
> Regards,
> Deepa
>
>
>
> On Sat, Apr 30, 2011 at 6:20 AM, Bhargav Trivedi
> bhargavatrivedi*|*gmail= .com <owner-chemistry~!~ccl.net> wrote:
>>
>> Sent to CCL by: "Bhargav =A0Trivedi" [bhargavatrivedi[-]= gmail.com]
>> Dear all,
>> I would like to learn computational chemistry. Please tell me how = can I prepare for it.
>> I am an M Sc PhD with Physical chemistry & an academician sinc= e last 16 years. I teach thermodynamics and electrochemistry to under gradu= ates.
>> Thanks a lot:
>> Dr. Bhargav Trivedi,
>> Associate Professor of Chemistry,
>> J & J College of science,
>> Nadiad, Gujarat.
>> India>
>

--

Christopher J. Cramer
Elmore H. Northey Professor
University of Minnesota
Department of Chemistry
207 Pleasant St. SE
Minneapolis, MN 55455-0431
--------------------------
Phone: =A0(612) 624-0859 || FAX: =A0(612) 626-7541
Mobile: (952) 297-2575
email: =A0cramer,+,umn.edu=
jabber: =A0cramer,+,jab= ber.umn.edu
http://p= ollux.chem.umn.edu/~cramer
(website includes information about the textbook "Essentials
=A0 =A0of Computational Chemistry: =A0Theories and Models, 2nd Edition&quo= t;)



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--
=A0Dr UCA JALEEL
=A0= Asst Professor in cheminformatics
=A0UGC AIDED Centre for cheminformati= cs
=A0MCC calicut
phone

--0003255579764b2ef204a22e048c-- From owner-chemistry@ccl.net Sun May 1 14:47:00 2011 From: "Steve george spgeorge**ucsd.edu" To: CCL Subject: CCL:G: To begin with computational chemistry Message-Id: <-44512-110501144535-24448-BayH9N9Ifcuu96emNbnQCQ-*-server.ccl.net> X-Original-From: "Steve george" Content-Language: en-us Content-Transfer-Encoding: 7bit Content-Type: text/plain; charset="us-ascii" Date: Sun, 1 May 2011 11:45:09 -0700 MIME-Version: 1.0 Sent to CCL by: "Steve george" [spgeorge*_*ucsd.edu] Dr. Trivedi, While the text is specific to Gaussian in terms of application, the concepts/problems presented in this text helps one understand the basics of what one can explore with computational methods. http://www.amazon.com/Exploring-Chemistry-Electronic-Structure-Methods/dp/09 63676938 Steve George -----Original Message----- > From: owner-chemistry+spgeorge==ucsd.edu ~~ ccl.net [mailto:owner-chemistry+spgeorge==ucsd.edu ~~ ccl.net] On Behalf Of Bhargav Trivedi bhargavatrivedi*|*gmail.com Sent: Saturday, April 30, 2011 3:21 AM To: Steve P George Subject: CCL: To begin with computational chemistry Sent to CCL by: "Bhargav Trivedi" [bhargavatrivedi[-]gmail.com] Dear all, I would like to learn computational chemistry. Please tell me how can I prepare for it. I am an M Sc PhD with Physical chemistry & an academician since last 16 years. I teach thermodynamics and electrochemistry to under graduates. Thanks a lot: Dr. Bhargav Trivedi, Associate Professor of Chemistry, J & J College of science, Nadiad, Gujarat. Indiahttp://www.ccl.net/cgi-bin/ccl/send_ccl_messagehttp://www.ccl.net/chemistry/sub_unsub.shtmlhttp://www.ccl.net/spammers.txt