From owner-chemistry@ccl.net Mon Nov 28 17:00:01 2011 From: "Edward Holland hollandej^^^Cardiff.ac.uk" To: CCL Subject: CCL:G: How To Specify DMF Solvent In Gaussian Input Message-Id: <-45942-111128161053-12578-RSfF1FVInX/bKweCTc2DOA() server.ccl.net> X-Original-From: Edward Holland Content-Type: multipart/signed; boundary="Apple-Mail=_D6DA5112-121A-4858-AA81-DD7411CCBDBE"; protocol="application/pgp-signature"; micalg=pgp-sha1 Date: Mon, 28 Nov 2011 21:10:33 +0000 Mime-Version: 1.0 (Apple Message framework v1251.1) Sent to CCL by: Edward Holland [hollandej%Cardiff.ac.uk] --Apple-Mail=_D6DA5112-121A-4858-AA81-DD7411CCBDBE Content-Transfer-Encoding: quoted-printable Content-Type: text/plain; charset=us-ascii Hi, http://www.gaussian.com/g_tech/g_ur/k_scrf.htm is the page that lists = all the solvents available. Try using "n,n-DiMethylFormamide" instead of "DMF" Yours Ed Holland On 28 Nov 2011, at 18:49, Vel Murugan G murugan4chemistry^^gmail.com = wrote: >=20 > Sent to CCL by: "Vel Murugan G" [murugan4chemistry,+,gmail.com] > Dear CClers > I need to run a PCM calculation with dimethylformamide DMF) as = the solvent. I was trying to specify DMF using the PCM model in Gaussian = which is not mentioned in the calculation part of the Gauss View. Does = anyone know how to specify DMF solvent in Gaussian input? Kindly help = me. >=20 > Thanks in advance >=20 > With Regards > VELMURUGAN G >=20 >=20 >=20 > -=3D This is automatically added to each message by the mailing script = =3D- > To recover the email address of the author of the message, please = change>=20>=20>=20 > Subscribe/Unsubscribe:=20>=20>=20 > Job: http://www.ccl.net/jobs=20 > Conferences: = http://server.ccl.net/chemistry/announcements/conferences/ >=20>=20>=20>=20 >=20 --Apple-Mail=_D6DA5112-121A-4858-AA81-DD7411CCBDBE Content-Transfer-Encoding: 7bit Content-Disposition: inline; filename=signature.asc Content-Type: application/pgp-signature; name=signature.asc Content-Description: Message signed with OpenPGP using GPGMail -----BEGIN PGP SIGNATURE----- iQEcBAEBAgAGBQJO0/jJAAoJEEJc9s8gBQlyAw0H/RDG80h1xVfAfvvBVW4RXtu1 qPXhhHj2fUXShrkKqD70sonTlbXRIn3GvCTcOK+JFCti0Pmo+K5UUCSVOj4EPq32 /bhdCpi2sOWC74udeBTva7ajJ41BJzqc32jm3nKcBa+CzDxzcoH/8GkumNNoDPiQ l6jQlmIjVnacTToBIS2EV3UFAYgQWYMSNIL7tMa8pAStxYifpQnXXrNXMOfcGqZf z+cTcEde90VU29mx9H49+AZ3rxNhfEcgVi3zB3Ba/Wzc30mj8fMquv/YiXVVgUSV f+u2ahf4m+ooDRowUFqry9oc4VWWxeYuwhfhHQC443hN1eZ1xOX6OdmUe5gVDZU= =reZq -----END PGP SIGNATURE----- --Apple-Mail=_D6DA5112-121A-4858-AA81-DD7411CCBDBE--