From owner-chemistry@ccl.net Thu May 12 14:17:01 2016 From: "David Shobe avidshobe_-_yahoo.com" To: CCL Subject: CCL: a really silly question Message-Id: <-52196-160512135758-20263-Y8WHN/81gFPd8rEtlt5FkA:-:server.ccl.net> X-Original-From: David Shobe Content-Type: multipart/alternative; boundary="----=_Part_1049358_995418990.1463075782335" Date: Thu, 12 May 2016 17:56:22 +0000 (UTC) MIME-Version: 1.0 Sent to CCL by: David Shobe [avidshobe:yahoo.com] ------=_Part_1049358_995418990.1463075782335 Content-Type: text/plain; charset=UTF-8 Content-Transfer-Encoding: quoted-printable The formula is E =3D (1 / 4 pi E0) (q1 q2 / r12). =C2=A0 Thus your conversi= on factor is 1 / (4 pi E0) where E0 =3D=C2=A08.854=C2=A0187=C2=A0817...=C2= =A0x=C2=A010-12=C2=A0 J^-1 C^2 m-1. Sorry for the lack of typography.=C2=A0=20 On Thursday, May 12, 2016 10:33 AM, Richard Leo Wood rwoodphd##msn.com = wrote: =20 =20 Sent to CCL by: "Richard Leo Wood" [rwoodphd ~~ msn.com] I am trying to compute the electrostatic interaction for a pair of atoms=20 > from an energy minimized structure. I have the charges on the two atoms as -0.47 and -0.55.=C2=A0 They are 3.15= =20 Angstroms apart.=C2=A0 So, E =3D (-0.55*-0.45)e-38 C^2/3.15e-8 m. I get 8.21e-32 C^2/m.=C2=A0 My question is how do I convert this to Joules? Richard -=3D This is automatically added to each message by the mailing script =3D-=C2=A0 =C2=A0 =C2=A0=C2=A0 =C2=A0 =C2=A0Subscribe/Unsubscribe:=20 =C2=A0 =C2=A0 =C2=A0Job: http://www.ccl.net/jobs=20=C2=A0 =C2=A0 =C2=A0------=_Part_1049358_995418990.1463075782335 Content-Type: text/html; charset=UTF-8 Content-Transfer-Encoding: quoted-printable
The formula is E =3D (1 / 4 pi E0) (q1 q2 / r12).   Thus= your conversion factor is 1 / (4 pi E0) where E0 =3D 8.854 187 817... x 10-12  J^-1 C^2 m-1.

Sorry for the lack o= f typography. 


On Thursday, May 12, 2016 10:33 = AM, Richard Leo Wood rwoodphd##msn.com <owner-chemistry%%ccl.net> wrot= e:



Sent to CC= L by: "Richard Leo Wood" [rwoodphd ~~ msn.com]
I am trying to compute th= e electrostatic interaction for a pair of atoms
> from an energy min= imized structure.

I have the charges on the two atoms as -0.47 and -= 0.55.  They are 3.15
Angstroms apart.  So, E =3D (-0.55*-0.45= )e-38 C^2/3.15e-8 m.

I get 8.21e-32 C^2/m.  My question is how = do I convert this to Joules?

Richard



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