Subject: Re: CCL:basis functions in LaTeX

From: "W. R. Smith" <[email-masked]>
Date: Fri, 10 Jul 1998 10:03:47 -0400

At 11:50 AM 7/10/1998 +0000, you wrote:
>Dear CCL'ers,
>it's not quite computational chemistry question, but it's chemistry on
>computer with LaTeX (it makes also quite complicated calculatuions  ;).
>
>I'm trying to formate table with some basis fuctions in first column.
>When  I type:
>
>{\centering \begin{tabular}{|c|c|c|c|c|c|c|}
>\hline
>&$^1$H&$^{11}$B&$^{13}$C&$^{19}$F&$^{29}$Si &$^{31}$P\\
>\hline
>\hline
>RHF/6$-$31G(d)&32.9017&106.750&201.7315&&450.1988&\\
>\hline
>RHF/6$-$31G(d,p)&&&&&&\\
>\hline
>RHF/6$-$31+G(d)&32.8172&106.3119&201.8511&&446.7210&\\
>\hline
>B3LYP/6$-$311+G(d,p)&31.8976&84.0763&180.4099&&339.0217&
>\\
>\hline
>\end{tabular}\par}
>
>
>I become something like (if one looks on first column  and '/'):
>
>|----------------------------------------------...
>|                     | ...
>|----------------------------------------------...
>|     RHF/6-31G(d)    | ...
>|----------------------------------------------...
>|    RHF/6-31G(d,p)   | ...
>|----------------------------------------------...
>|    RHF/6-31+G(d)    | ...
>|----------------------------------------------...
>| B3LYP/6-311+G(d,p)  | ...
>|----------------------------------------------...
>
>What should I write to obtain output with '/' in the same position in
>cell?

Add an additional column to contain the '/', right-justify the column
immediately before and left-justify the column immediately after? i.e.

\begin{tabular}{|rcl|c|c|c|c|c|c|}

and 

RHF & / & 6$-$31G(d) & 32.9017 & 106.750 & 201.7315 && 450.1988&\\

(but I haven't actually tested this)
-- W. R. Smith, PhD, P. Eng., Senior Scientist, Mathtrek Systems --
3-304 Stone Road West, Suite 165, Guelph, Ontario CANADA N1G 4W4
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