From owner-chemistry@ccl.net Wed Jul 10 11:55:00 2019 From: "Cherif Farid Matta cherif.matta/a\msvu.ca" To: CCL Subject: CCL: CHITEL/QUITEL Conference, 25-30 Aug. 2019, Montreal - Canada Message-Id: <-53785-190710084108-17070-bQ7aGHtH7XKnTa6M1EqfFQ{:}server.ccl.net> X-Original-From: "Cherif Farid Matta" Date: Wed, 10 Jul 2019 08:41:05 -0400 Sent to CCL by: "Cherif Farid Matta" [cherif.matta,msvu.ca] Dear All, If you have not already register, this is a gentle reminder to please do so asap as the 45th International Conference of Theoretical Chemists of Latin Expression (Chitel/Quitel 2019) will be held on 25-30 August 2019 in Montreal, Quebec, Canada. QUITEL or CHITEL is the annual conference of theoretical and computational chemists in Romance/Latin languages such as Catalan, Italian, French, Portuguese, Romanian, Spanish, etc. The conference will feature some of the best researchers in a unique Latin atmosphere in the vibrant culture of Montreal, Quebec, Canada. Abstract submission is still open with special discounts for students and potdocs. There are best poster and oral presentation prizes for students and postdoctoral fellows. Please visit: https://www.concordia.ca/research/molecular-modeling/chitel.html Best regards, cordialement, con mejores deseos, melhores desejos, cordiali saluti, cura ut valeas, Cherif Matta, Gilles Peslherbe, Pierre-Nicholas Roy QUITEL/CHITEL 2019 Organizers From owner-chemistry@ccl.net Wed Jul 10 17:24:01 2019 From: "Mo Fateh mo.fateh-x-yahoo.com" To: CCL Subject: CCL:G: How to add polarization and diffuse functions to SDD in Gaussian 09? Message-Id: <-53786-190710172110-22244-6/7qxkI3ot/4ewUMsPdGnw(a)server.ccl.net> X-Original-From: "Mo Fateh" Date: Wed, 10 Jul 2019 17:21:09 -0400 Sent to CCL by: "Mo Fateh" [mo.fateh{}yahoo.com] Dear CCL membetrs, How to add polarization and diffuse functions to SDD in Gaussian 09? I have checked these website but I couldnot find a solution for this severe problem. https://www.basissetexchange.org/ https://gaussian.com/gen/ With thanks, Mo From owner-chemistry@ccl.net Wed Jul 10 19:51:01 2019 From: "David Shobe shobedavid-,-gmail.com" To: CCL Subject: CCL:G: How to add polarization and diffuse functions to SDD in Gaussian 09? Message-Id: <-53787-190710194941-31450-+kLRHPYrfJDI8PzOibj/hg * server.ccl.net> X-Original-From: David Shobe Content-Type: multipart/alternative; boundary="00000000000064f385058d5c543e" Date: Wed, 10 Jul 2019 18:49:22 -0500 MIME-Version: 1.0 Sent to CCL by: David Shobe [shobedavid_-_gmail.com] --00000000000064f385058d5c543e Content-Type: text/plain; charset="UTF-8" Polarization and diffuse functions have been published for lanl2dz ecp. Can you use lanl2dz for your study? Or is sdd your only option? On Wed, Jul 10, 2019, 6:28 PM Mo Fateh mo.fateh-x-yahoo.com < owner-chemistry[*]ccl.net> wrote: > > Sent to CCL by: "Mo Fateh" [mo.fateh{}yahoo.com] > Dear CCL membetrs, > > How to add polarization and diffuse functions to SDD in Gaussian 09? I > have > checked these website but I couldnot find a solution for this severe > problem. > > https://www.basissetexchange.org/ > > https://gaussian.com/gen/ > > With thanks, > Mo> > > --00000000000064f385058d5c543e Content-Type: text/html; charset="UTF-8" Content-Transfer-Encoding: quoted-printable
Polarization and diffuse functions have been publish= ed for lanl2dz ecp. Can you use lanl2dz for your study? Or is sdd your only= option?



On Wed, Jul 10, 2019, 6:28 PM Mo Fateh mo.fateh-x-yahoo.com <owner-chemistry[*]ccl.net> wrote:<= br>

Sent to CCL by: "Mo=C2=A0 Fateh" [mo.fateh{}yahoo.com]
Dear CCL membetrs,

How to add polarization and diffuse functions to SDD in Gaussian 09? I have=
checked these website but I couldnot find a solution for this severe
problem.

https://www.basissetexchange.org/

https://gaussian.com/gen/

With thanks,
Mo



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