From chemistry-request $#at#$ server.ccl.net Fri Nov 9 05:18:39 2001 Received: from orionl0.ccf.auth.gr ([155.207.199.31]) by server.ccl.net (8.11.6/8.11.0) with ESMTP id fA9AIdB08528 for ; Fri, 9 Nov 2001 05:18:39 -0500 Received: from chem011 (chem011.chem.auth.gr [155.207.64.94]) by orionl0.ccf.auth.gr (8.11.6/8.11.4/8.11.4) with SMTP id fA9AIZq05493 for ; Fri, 9 Nov 2001 12:18:35 +0200 (EET) Organization: Message-ID: <001401c16907$8bf79270$5e40cf9b#* at *#chem.auth.gr> From: "temper" To: Subject: NMR_MP2 [???] Date: Fri, 9 Nov 2001 12:16:06 +0200 MIME-Version: 1.0 Content-Type: multipart/alternative; boundary="----=_NextPart_000_0011_01C16918.4EBF3550" X-Priority: 3 X-MSMail-Priority: Normal X-Mailer: Microsoft Outlook Express 5.50.4133.2400 X-MimeOLE: Produced By Microsoft MimeOLE V5.50.4133.2400 This is a multi-part message in MIME format. ------=_NextPart_000_0011_01C16918.4EBF3550 Content-Type: text/plain; charset="iso-8859-7" Content-Transfer-Encoding: quoted-printable I started a project on NMR ab initio calculations with GAUSSIAN 98W = A.11.=20 I haven't problem with DFT and HF methods, but i cann't run NMR with=20 MP2 [#p mp2/6-311+(2d,p) nmr].=20 WHY? (I have an Athlon Thunderbird 1GHz with 256 MB memory) Can anyone give me an advice? Thanks in advance. Postgraduate (Ph.D) Student Vasilios I. Teberekidis Laboratory of Applied Quantum Chemistry=20 Aristotle University of Thessaloniki (Greece) Tel.:(+30 31) 99 78 20 +30937 66 18 18 E-mail: temper:~at~:chem.auth.gr www: http://users.auth.gr/temper ------=_NextPart_000_0011_01C16918.4EBF3550 Content-Type: text/html; charset="iso-8859-7" Content-Transfer-Encoding: quoted-printable

I started a project=20 on NMR ab initio calculations with = GAUSSIAN=20 98W A.11.

I haven't problem with DFT = and HF=20 methods, but i cann't=20 run NMR with

MP2 [#p=20 mp2/6-311+(2d,p) nmr].

WHY? (I have an Athlon Thunderbird 1GHz with = 256 MB=20 memory)

Can anyone give me an=20 advice?

Thanks in = advance.

Postgraduate (Ph.D) = Student
Vasilios=20 I. Teberekidis
Laboratory of Applied Quantum Chemistry
Aristotle=20 University of Thessaloniki (Greece)
Tel.:(+30 31) 99 78=20 20
+30937 66 18 = 18
E-mail: temper(+ at +)chem.auth.gr
www: http://users.auth.gr/temper

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