From owner-chemistry@ccl.net Fri Dec 20 05:27:01 2013 From: "mahnaz gh mahnaz271163:yahoo.com" To: CCL Subject: CCL: error termination via lnk1e in c:\G09w\1607.exe Message-Id: <-49465-131220052517-12570-gXMCZzLqInrV/UxsagF+ow,server.ccl.net> X-Original-From: "mahnaz gh" Date: Fri, 20 Dec 2013 05:25:16 -0500 Sent to CCL by: "mahnaz gh" [mahnaz271163[-]yahoo.com] Hi there I ran an input in G09 and after 4 hours, the link died due to the "error termination via lnk1e in c:\G09w\1607.exe". Would you please help me to solve this problem? regards From owner-chemistry@ccl.net Fri Dec 20 08:29:00 2013 From: "shanawersi shanawersi~!~upatras.gr" To: CCL Subject: CCL: error termination via lnk1e in c:\G09w\1607.exe Message-Id: <-49466-131220082703-3323-SmfhNwi/Ma9GmfntPqeQhg|a|server.ccl.net> X-Original-From: shanawersi Content-Type: multipart/alternative; boundary="=_6183fc55d5c3c7cffc5863a1ca205fd7" Date: Fri, 20 Dec 2013 15:26:55 +0200 MIME-Version: 1.0 Sent to CCL by: shanawersi [shanawersi::upatras.gr] --=_6183fc55d5c3c7cffc5863a1ca205fd7 Content-Transfer-Encoding: 7bit Content-Type: text/plain; charset=UTF-8 Mahnaz, you should be more specific in this case (NBOs)!!! Its better if you will provide some more details such as keywords you used in input and last part of output file etc. S. Niaz On 2013-12-20 12:25, mahnaz gh mahnaz271163:yahoo.com wrote: > Sent to CCL by: "mahnaz gh" [mahnaz271163[-]yahoo.com] > Hi there > I ran an input in G09 and after 4 hours, the link died due to the "error termination via lnk1e in c:G09w1607.exe". Would you please help me to solve this problem? > regards[1][1][2][3][4][5][6][7][8] Links: ------ [1][2][3] http://www.ccl.net [4] http://www.ccl.net/jobs [5] http://server.ccl.net/chemistry/announcements/conferences/ [6] http://www.ccl.net/chemistry/searchccl/index.shtml [7][8] http://www.ccl.net/chemistry/aboutccl/instructions/ --=_6183fc55d5c3c7cffc5863a1ca205fd7 Content-Transfer-Encoding: quoted-printable Content-Type: text/html; charset=UTF-8

Mahnaz, you should be more specific in this case (NBOs)!!! Its better if= you will provide some more details such as keywords you used in input and = last part of output file etc.

S. Niaz

 

On 2013-12-20 12:25, mahnaz gh mahnaz271163:yahoo.com wrote:

Sent to CCL by: "mahnaz  gh" [mahnaz271163[-]yahoo.com]
Hi there
I ran an input in G09 and after 4 hours, the link died due to the "error te=
rmination via lnk1e in c:\G09w\1607.exe". Would you please help me to solve=
 this problem?
regards



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--=_6183fc55d5c3c7cffc5863a1ca205fd7-- From owner-chemistry@ccl.net Fri Dec 20 09:20:00 2013 From: "Narendra narendrax##gmail.com" To: CCL Subject: CCL: Purchasing chemicals Message-Id: <-49467-131219235156-31281-W0q2WdzHLyJvxnhzMYTRRA::server.ccl.net> X-Original-From: Narendra Content-Type: multipart/alternative; boundary=001a11c322c04ff9a104edf009b4 Date: Fri, 20 Dec 2013 10:21:29 +0530 MIME-Version: 1.0 Sent to CCL by: Narendra [narendrax[*]gmail.com] --001a11c322c04ff9a104edf009b4 Content-Type: text/plain; charset=ISO-8859-1 Dear Manali , you can try Anax Laboratories, they have very good stocks and large library of molecules, we regularly buy from them. Regards Naren Sr Scientist On Fri, Dec 20, 2013 at 8:39 AM, Elvis Martis elvis_bcp .. elvismartis.in < owner-chemistry++ccl.net> wrote: > Hello > You may try Enamine too. I have purchased from them. For More such > suppliers you may visit the website of Zinc database and there is list of > suppliers. > > > *Regards* > *Elvis A. F. Martis* > *Research Fellow* > > *Prof. Coutinho's Molecular Modeling Group * > *Department of Pharmaceutical Chemistry* > *Bombay College of Pharmacy* > *[University of Mumbai]* > *Kalina, Santacruz [E]* > *Mumbai 400098* > *Personal website: www.elvismartis.in * > *Group website: www.profeccoutinho.net.in > * > > Information is not knowledge. > -*Albert Einstein* > > > > On Thu, Dec 19, 2013 at 3:27 PM, Manali Joshi manalijoshi###unipune.ac.in > wrote: > >> >> Sent to CCL by: "Manali Joshi" [manalijoshi _ unipune.ac.in] >> Dear all, >> >> I am interested in purchasing a set of chemicals and came across Molport >> which >> seemed to be an excellent resource for the same. >> Are there any other parallel resources that work in the same way ? >> >> Thanks in advance for your answers! >> >> -Manali Joshi>> E-mail to subscribers: CHEMISTRY^ccl.net or use:>> >> E-mail to administrators: CHEMISTRY-REQUEST^ccl.net or use>> >> >> > --001a11c322c04ff9a104edf009b4 Content-Type: text/html; charset=ISO-8859-1 Content-Transfer-Encoding: quoted-printable
Dear Manali ,
you can try Anax Laboratories, they have very good stocks and large library= of molecules, we regularly buy from them.

Regards
Naren
Sr Scientist



On Fri, Dec 20, 2013 at 8:39 AM, Elvis Martis elvis_bcp= .. elvismartis.in = <owner-chem= istry++ccl.net> wrote:
Hello=A0
You may try Enamine too. I have purchased from them. For More such supplier= s you may visit the website of Zinc database and there is list of suppliers= .

<= /div>

Regards
Research Fellow
= <= b>Prof. Coutinho's Molecular Modeling Group
Department of Pharmaceutical Chemistry
= Bombay College of Pharmacy
[University of Mumbai]
Kalina, Santacruz [E]
Mumbai 400098
<= font face=3D"georgia, serif">Personal website:=A0www.elvismart= is.in

Information is not knowledge.
-Albert Einstein=



On Thu, Dec 19, 2013 at 3:27 PM, Manali = Joshi manalijoshi###unip= une.ac.in <owner-chemistry^ccl.net> wrote:

Sent to CCL by: "Manali =A0Joshi" [manalijoshi _ unipune.ac.in]
Dear all,

I am interested in purchasing a set of chemicals and came across Molport wh= ich
seemed to be an excellent resource for the same.
Are there any other parallel resources that work in the same way ?

Thanks in advance for your answers!

-Manali Joshi



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--001a11c322c04ff9a104edf009b4-- From owner-chemistry@ccl.net Fri Dec 20 12:20:00 2013 From: "mahnaz ghiasi mahnaz271163],[yahoo.com" To: CCL Subject: CCL: Fw: CCL: error termination via lnk1e in c:\G09w\1607.exe Message-Id: <-49468-131220115733-2378-1czBJ5ogQFgt1YxB1h67fQ]=[server.ccl.net> X-Original-From: mahnaz ghiasi Content-Type: multipart/alternative; boundary="-1131079492-989901180-1387558647=:19483" Date: Fri, 20 Dec 2013 08:57:27 -0800 (PST) MIME-Version: 1.0 Sent to CCL by: mahnaz ghiasi [mahnaz271163^yahoo.com] ---1131079492-989901180-1387558647=:19483 Content-Type: text/plain; charset=iso-8859-1 Content-Transfer-Encoding: quoted-printable =0A=0ADear shanawersi=0Ashanawersi=0ARoute=0Asection: # opt freq=3Draman b3= lyp/6-311++g(d,p) pop=3D(nbo,savenbo)=0Ageom=3Dconnectivity=0A=0A=0AOn Frid= ay, December 20, 2013 4:56 PM, shanawersi shanawersi~!~upatras.gr wrote:=0A =0AMahnaz, you should be more specific in this c= ase (NBOs)!!! Its better if you will provide some more details such as keyw= ords you used in input and last part of output file etc.=0AS. Niaz=0A=A0=0A= On 2013-12-20 12:25, mahnaz gh mahnaz271163:yahoo.com wrote:=0ASent to CCL = by: "mahnaz gh" [mahnaz271163[-]yahoo.com]=0AHi there=0AI ran an input in = G09 and after 4 hours, the link died due to the "error termination via lnk1= e in c:\G09w\1607.exe". Would you please help me to solve this problem?=0Ar= egards -=3D This is automatically added to each message by the mailing scri= pt =3D-E-mail to subscribers: CHEMISTRY|a|ccl.net or use: http://www.ccl.ne= t/cgi-bin/ccl/send_ccl_message E-mail to administrators: CHEMISTRY-REQUEST|= a|ccl.net or useSubscribe/= Unsubscribe:Before posting, c= heck wait time at: http://www.ccl.netConferen= ces: http://server.ccl.net/chemistry/announcements/conferences/ Search Mess= ages: http://www.ccl.net/chemistry/searchccl/index.shtmlhttp://www.ccl.net/= spammers.txt---1131079492-989901180-1387558647=:19483 Content-Type: text/html; charset=iso-8859-1 Content-Transfer-Encoding: quoted-printable

=0A=0A
Dear shanawersi=0Ashanawersi
=0A=0A
Route=0Asection= : # opt freq=3Draman b3lyp/6-311++g(d,p) pop=3D(nbo,savenbo)=0Ageom=3Dconne= ctivity
=0A=0A

=
On Fr= iday, December 20, 2013 4:56 PM, shanawersi shanawersi~!~upatras.gr <own= er-chemistry .. ccl.net> wrote:
=0A
=0A
Mahnaz, you should be mor= e specific in this case (NBOs)!!! Its better if you will provide some more = details such as keywords you used in input and last part of output file etc= .
=0A
S. Niaz
=0A
=  
=0A
On 2013-12-20 12:25, mahnaz gh mahnaz271163:yahoo.com w= rote:
=0A
=0A
Sent to CCL by: "=
mahnaz  gh" [mahnaz271163[-]yahoo.com]=0AHi there=0AI ran an input in G09 a=
nd after 4 hours, the link died due to the "error termination via lnk1e in =
c:\G09w\1607.exe". Would you please help me to solve this problem?=0Aregard=
s=0A=0A=0A=0A-=3D This is automatically added to each message by the mailin=
g script =3D-E-mail to subscribers: C=
HEMISTRY|a|ccl.net or use:=0A      http://www.ccl.n=
et/cgi-bin/ccl/send_ccl_message=0A=0AE-mail to administrators: CHEMISTRY-REQUEST|a|ccl.net=
 or use=0A      http://www.ccl.net/cgi-bin/ccl/send=
_ccl_message=0A=0A=0A      http=
://www.ccl.net/chemistry/sub_unsub.shtml=0A=0ABefore posting, check wai=
t time at: http://www.ccl.net=0A=0AJob: http://www.ccl.net/jobs =0AConferences:=
 http://server.ccl.net/chemistry/announcemen=
ts/conferences/=0A=0ASearch Messages: http://www=
.ccl.net/chemistry/searchccl/index.shtmlhttp://www.ccl.net/spammers=
.txt=0A=0ARTFI: http://www.ccl.net/chemistry/ab=
outccl/instructions/=0A=0A=0A
=0A
=0A
 
= =0A
 
=0A


---1131079492-989901180-1387558647=:19483-- From owner-chemistry@ccl.net Fri Dec 20 15:18:00 2013 From: "Wolf Ihlenfeldt wdi~!~xemistry.com" To: CCL Subject: CCL: Purchasing chemicals Message-Id: <-49469-131220114351-1754-WCu6x8M5IuXGs45+uZ/D9A+/-server.ccl.net> X-Original-From: Wolf Ihlenfeldt Content-Transfer-Encoding: 8bit Content-Type: text/plain; charset=UTF-8 Date: Fri, 20 Dec 2013 17:43:40 +0100 MIME-Version: 1.0 Sent to CCL by: Wolf Ihlenfeldt [wdi-#-xemistry.com] On Fri, Dec 20, 2013 at 5:51 AM, Narendra narendrax##gmail.com wrote: > Dear Manali , > you can try Anax Laboratories, they have very good stocks and large library > of molecules, we regularly buy from them. > > Regards > Naren > Sr Scientist > I consider that post a purely commercial advertisement in violation of CCL policy. There is not even a textual online catalog at the Anax Labs site, and of course no structure-queryable database. This post does not answer the original question. It was about online consolidators, such as Molport or Chemexper, not about a tiny custom synthesis shop founded in 2012 with a largely defunct Web presence. > > > On Fri, Dec 20, 2013 at 8:39 AM, Elvis Martis elvis_bcp .. elvismartis.in > wrote: >> >> Hello >> You may try Enamine too. I have purchased from them. For More such >> suppliers you may visit the website of Zinc database and there is list of >> suppliers. >> >> >> Regards >> Elvis A. F. Martis >> Research Fellow >> Prof. Coutinho's Molecular Modeling Group >> Department of Pharmaceutical Chemistry >> Bombay College of Pharmacy >> [University of Mumbai] >> Kalina, Santacruz [E] >> Mumbai 400098 >> Personal website: www.elvismartis.in >> Group website: www.profeccoutinho.net.in >> >> Information is not knowledge. >> -Albert Einstein >> >> >> >> On Thu, Dec 19, 2013 at 3:27 PM, Manali Joshi manalijoshi###unipune.ac.in >> wrote: >>> >>> >>> Sent to CCL by: "Manali Joshi" [manalijoshi _ unipune.ac.in] >>> Dear all, >>> >>> I am interested in purchasing a set of chemicals and came across Molport >>> which >>> seemed to be an excellent resource for the same. >>> Are there any other parallel resources that work in the same way ? >>> >>> Thanks in advance for your answers! >>> >>> -Manali Joshi>>> E-mail to subscribers: CHEMISTRY^ccl.net or use:>>> >>> E-mail to administrators: CHEMISTRY-REQUEST^ccl.net or use>>> >>> >> > -- Wolf-D. Ihlenfeldt - Xemistry GmbH - wdi]_[xemistry.com Phone: +49 6174 201455 - Fax +49 6174 209665 --- xemistry gmbh – Geschäftsführer/Managing Director: Dr. W. D. Ihlenfeldt Address: Hainholzweg 11, D-61462 Königstein, Germany HR Königstein B7522 : Ust/VAT ID DE215316329 : DUNS 34-400-1719 From owner-chemistry@ccl.net Fri Dec 20 17:48:00 2013 From: "shanawersi shanawersi()upatras.gr" To: CCL Subject: CCL: Fw: CCL: error termination via lnk1e in c:\G09w\1607.exe Message-Id: <-49470-131220174320-16612-A56iytuT9Uxzz2A9XmVkjA(a)server.ccl.net> X-Original-From: shanawersi Content-Type: multipart/alternative; boundary="=_c825fec68fafc1bc1e6f3bd1669a604c" Date: Sat, 21 Dec 2013 00:43:11 +0200 MIME-Version: 1.0 Sent to CCL by: shanawersi [shanawersi|,|upatras.gr] --=_c825fec68fafc1bc1e6f3bd1669a604c Content-Transfer-Encoding: 7bit Content-Type: text/plain; charset=UTF-8 I think in order to visualize NBOs, there is no need to save it in the checkpoint file. All required results will be written in output file using pop=(nbo,full) instead of savenbos. In addition to this you should also use opt=tight instead of opt for tight convergence criteria. I hope this will work. Good luck :). S. Niaz, Greece. On 2013-12-20 18:57, mahnaz ghiasi mahnaz271163],[yahoo.com wrote: > Dear shanawersi > shanawersi > Route > section: # opt freq=raman b3lyp/6-311++g(d,p) pop=(nbo,savenbo) > geom=connectivity > > On Friday, December 20, 2013 4:56 PM, shanawersi shanawersi~!~upatras.gr wrote: > > Mahnaz, you should be more specific in this case (NBOs)!!! Its better if you will provide some more details such as keywords you used in input and last part of output file etc. > S. Niaz > > On 2013-12-20 12:25, mahnaz gh mahnaz271163:yahoo.com wrote: > Sent to CCL by: "mahnaz gh" [mahnaz271163[-]yahoo.com] > Hi there > I ran an input in G09 and after 4 hours, the link died due to the "error termination via lnk1e in c:G09w1607.exe". Would you please help me to solve this problem? > regardsE-mail to subscribers: CHEMISTRY|a|ccl.net or use:[1] E-mail to administrators: CHEMISTRY-REQUEST|a|ccl.net or useSubscribe/Unsubscribe:Conferences: [2] http://server.ccl.net/chemistry/announcements/conferences/ [3]http://www.ccl.net/spammers.txt---1131079492-989901180-1387558647=:19483 [4] > Content-Type: text/html; charset=iso-8859-1 > Content-Transfer-Encoding: quoted-printable > > Hi there > I ran an input in G09 and after 4 hours, the link died due to the "error termination via lnk1e in c:G09w1607.exe". Would you please help me to solve this problem? > regardsE-mail to subscribers: CHEMISTRY|a|ccl.net or use: > http://www.ccl.net/cgi-bin/ccl/send_ccl_message [1] > > E-mail to administrators: CHEMISTRY-REQUEST|a|ccl.net or use > http://www.ccl.net/cgi-bin/ccl/send_ccl_message [1] > > http://www.ccl.net/chemistry/sub_unsub.shtml [5] > > Before posting, check wait time at: http://www.ccl.net [7] > > Job: http://www.ccl.net/jobs [8] > Conferences: http://server.ccl.net/chemistry/announcements/conferences/ [3] > > Search Messages: http://www.ccl.net/chemistry/searchccl/index.shtml [9]http://www.ccl.net/spammers.txt [10] > > RTFI: http://www.ccl.net/chemistry/aboutccl/instructions/ [11] Links: ------ [1][2] http://www.ccl.netConferences: [3] http://server.ccl.net/chemistry/announcements/conferences/ [4] http://www.ccl.net/chemistry/searchccl/index.shtmlhttp://www.ccl.net/spammers.txt---1131079492-989901180-1387558647=:19483 [5][6] http://www.ccl.net/ [7] http://www.ccl.net [8] http://www.ccl.net/jobs [9] http://www.ccl.net/chemistry/searchccl/index.shtml [10][11] http://www.ccl.net/chemistry/aboutccl/instructions/ --=_c825fec68fafc1bc1e6f3bd1669a604c Content-Transfer-Encoding: quoted-printable Content-Type: text/html; charset=UTF-8
I think in order to visualize NBOs, there is no need to save it in the=
 checkpoint file. All required results will be written in output file using=
 pop=3D(nbo,full) instead of savenbos. In addition to this you should also =
use opt=3Dtight instead of opt for tight convergence criteria. I hope this =
will work. Good luck :).

S. Niaz, Greece.

 

On 2013-12-20 18:57, mahnaz ghiasi mahnaz271163],[yahoo.com wrote:

Dear shanawersi
shanawersi
Route
section: # opt freq=3Draman b3lyp/6-311++g(d,p) pop=3D(nbo,savenbo)
geom=3Dconnectivity


On Friday, December 20, 2013 4:56 PM, shanawersi shanawersi~!~upatras.gr &l=
t;owner-chemistry..ccl.net> wrote:
=20
Mahnaz, you should be more specific in this case (NBOs)!!! Its better if yo=
u will provide some more details such as keywords you used in input and las=
t part of output file etc.
S. Niaz
 
On 2013-12-20 12:25, mahnaz gh mahnaz271163:yahoo.com wrote:
Sent to CCL by: "mahnaz  gh" [mahnaz271163[-]yahoo.com]
Hi there
I ran an input in G09 and after 4 hours, the link died due to the "error te=
rmination via lnk1e in c:\G09w\1607.exe". Would you please help me to solve=
 this problem?
regards -=3D This is automatically added to each message by the mailing scr=
ipt =3D-E-mail to subscribers: CHEMISTRY|a|ccl.net or use: http://www.ccl.net/cgi-bin/ccl/=
send_ccl_message E-mail to administrators: CHEMISTRY-REQUEST|a|ccl.net =
or useSubscribe/Unsubscribe:Before posting, check wait time at: http://www.ccl.netConferences: http://serv=
er.ccl.net/chemistry/announcements/conferences/ Search Messages: http://www.ccl.net/=
chemistry/searchccl/index.shtmlhttp://www.ccl.net/spammers.txt---1131079492=
-989901180-1387558647=3D:19483
Content-Type: text/html; charset=3Diso-8859-1
Content-Transfer-Encoding: quoted-printable

Hi there
I ran an input in G09 and after 4 hours, the link died due to the "error te=
rmination via lnk1e in c:\G09w\1607.exe". Would you please help me to solve=
 this problem?
regards



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--=_c825fec68fafc1bc1e6f3bd1669a604c--