Dear Prof. Case,
my question was from the very beginning devoted to the [kcal/mol] unit
and not [cal] or [kcal] itself.
If you find the relevant wikipedia page, please send me the link.
As I already wrote sooner the interpretation of this unit or more
precisely the interpretation of the energy results expressed in this unit
is clear. What is not so much clear ( at least to me :)) ) is the reason
why
was this unit adopted and at least in atomistic simulations in material and
live science is now more or less standard.
What is the general advantage of this unit in above mentioned areas in
compare
with other usual units like [J],[cal],[kcal],[eV] ...
Why is so advantageous to get every time energy in [kcal] of one mole of
my systems
however in practice I simulate and analyse just one system ?
Marek
Dne Mon, 08 Sep 2008 22:51:50 +0200 David A. Case
<case.biomaps.rutgers.edu> napsal/-a:
> On Mon, Sep 08, 2008, Marek Malý wrote:
>>
>> I have to say that in relevant Wikipedia page:
>>
>> http://en.wikipedia.org/wiki/Units_of_energy
>>
>> is zero information about this unit...
>
> It is not uncommon in searching for things on the web that the first
> thing you try is not the best one. If a certain wikipedia page has
> "zero information", that is often a signal to try some other search
> term. Since you want to find out about (kilo)calories, I suggest that
> you search wikipedia for "calorie":
> http://en.wikipedia.org/wiki/Calorie.
>
> ...dac
>
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Received on Thu Sep 11 2008 - 08:40:45 PDT
