From owner-chemistry@ccl.net Tue Mar 10 04:22:01 2015
From: "Henrique Junior henriquecsj^^gmail.com" <owner-chemistry**server.ccl.net>
To: CCL
Subject: CCL: Molecular Magnetism
Message-Id: <-51099-150310041925-19241-NS2kL+OTxMDFI+qm4z+jIg**server.ccl.net>
X-Original-From: Henrique Junior <henriquecsj{:}gmail.com>
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Date: Tue, 10 Mar 2015 05:18:39 -0300
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Sent to CCL by: Henrique Junior [henriquecsj###gmail.com]
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I'm just starting my work with molecular magnetism and most of the time
I'll be simulating and comparing magnetic properties of different molecules=
.
I'm still unsure of what is the best software to achieve better results:
G09, ORCA, NWChem, MOPAC or any other more suitable for the task?
Any advice will be much appreciated.

Thank you

--=20
*Henrique C. S. Junior*
Qu=C3=ADmico Industrial - UFRRJ
Mestrando em Qu=C3=ADmica Inorg=C3=A2nica - UFRRJ
Centro de Processamento de Dados - PMP

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<div dir=3D"ltr"><div class=3D"gmail_default" style=3D"font-family:monospac=
e,monospace"><div class=3D"gmail_default" style=3D"font-family:monospace,mo=
nospace"><div dir=3D"ltr" style=3D"color:rgb(0,0,0);font-family:&quot;Couri=
er New&quot;,courier,monaco,monospace,sans-serif;font-size:13px">I&#39;m
 just starting my work with molecular magnetism and most of the time=20
I&#39;ll be simulating and comparing magnetic properties of different=20
molecules.</div><div dir=3D"ltr" style=3D"color:rgb(0,0,0);font-family:&quo=
t;Courier New&quot;,courier,monaco,monospace,sans-serif;font-size:13px">I&#=
39;m
 still unsure of what is the best software to achieve better results:=20
G09, ORCA, NWChem, MOPAC or any other more suitable for the task?</div><div=
 dir=3D"ltr" style=3D"color:rgb(0,0,0);font-family:&quot;Courier New&quot;,=
courier,monaco,monospace,sans-serif;font-size:13px">Any advice will be much=
 appreciated.</div><div dir=3D"ltr" style=3D"color:rgb(0,0,0);font-family:&=
quot;Courier New&quot;,courier,monaco,monospace,sans-serif;font-size:13px">=
<br></div><div dir=3D"ltr" style=3D"color:rgb(0,0,0);font-family:&quot;Cour=
ier New&quot;,courier,monaco,monospace,sans-serif;font-size:13px">Thank you=
</div></div></div><br>-- <br><div class=3D"gmail_signature"><div dir=3D"ltr=
"><div><div dir=3D"ltr"><div><div dir=3D"ltr"><span style=3D"color:rgb(139,=
139,139)"><font face=3D"monospace, monospace"><b><font color=3D"#808080">He=
nrique C. S. Junior</font></b><br>Qu=C3=ADmico Industrial - UFRRJ</font></s=
pan></div><div dir=3D"ltr"><span style=3D"color:rgb(139,139,139)"><font fac=
e=3D"monospace, monospace">Mestrando em Qu=C3=ADmica Inorg=C3=A2nica - UFRR=
J<br>Centro de Processamento de Dados - PMP</font><br></span></div></div></=
div></div></div></div>
</div>

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