[Bug 192551] New: erroneous molecular weight of some elements

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[Bug 192551] New: erroneous molecular weight of some elements

by Bugzilla from fr.meral@laposte.net :: Rate this Message:

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https://bugs.kde.org/show_bug.cgi?id=192551

           Summary: erroneous molecular weight of some elements
           Product: kalzium
           Version: unspecified
          Platform: unspecified
        OS/Version: Linux
            Status: UNCONFIRMED
          Severity: normal
          Priority: NOR
         Component: general
        AssignedTo: kalzium@...
        ReportedBy: fr.meral@...


Version:           2.2.1 (using 4.2.2 (KDE 4.2.2), Mandriva Linux release
2009.1 (Cooker) for i586)
Compiler:          gcc
OS:                Linux (i686) release 2.6.29.1-desktop-4mnb

Some elements have a wrong molecular weight according to the last official
release of IUPAC Atomic Weight dated Aug 2007
(http://www.chem.qmul.ac.uk/iupac/AtWt/) which gives the reference values :

Element : M in kalzium ; M in IUPAC (in u)
As : 74.9216 ; 74.92160
Bi : 208.9804 ; 208.98040
Dy : 162.5 ; 162.500
Mg : 24.305 ; 24.3050
Rh : 102.9055 ; 102.90550
Sb : 121.76 ; 121.760
Sn : 118.71 ; 118.710
Te : 127.6 ; 127.60
--------------------------
Lu : 174.967 ; 174.9668
Mo : 95.94 ; 95.96
Yb : 173.04 ; 173.054
Zn : 65.409 ; 65.38
--------------------------
Bh : 264 ; 272
Db : 262 ; 268
Hs : 277 ; 270
Mt : 268 ; 276
Rf : 261 ; 267
Rg : 272 ; 280
Sg : 266 ; 271
Uuh : 292 ; 293

Note : for the elements As, Bi, Dy, Mg, Rh, Sb, Sn, Te, there is in fact a lack
of precision (the ending zeroes are missing). To prevent this, one solution
should be to enter in kalzium data, the molecular weight as text for the table
and convert theses values in numbers for the calculations (for example in the
calculate tool which gives the molecular weight of a molecular compound)

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[Bug 192551] erroneous molecular weight of some elements

by Daniel Leidert :: Rate this Message:

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https://bugs.kde.org/show_bug.cgi?id=192551





--- Comment #1 from Daniel Leidert <daniel leidert spam gmx net>  2009-05-16 11:46:58 ---
The first part of the list seems to be related to an issue in kalzium removing
or not showing a trailing zero.

The others are fixed in bodr SVN and an automated test has been added to comply
to the IUPAC Atomic Weight table.

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[Bug 192551] erroneous molecular weight of some elements

by Bugzilla from cniehaus@kde.org :: Rate this Message:

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https://bugs.kde.org/show_bug.cgi?id=192551


Carsten Niehaus <cniehaus@...> changed:

           What    |Removed                     |Added
----------------------------------------------------------------------------
             Status|UNCONFIRMED                 |ASSIGNED
                 CC|                            |cniehaus@...
     Ever Confirmed|0                           |1




--- Comment #2 from Carsten Niehaus <cniehaus kde org>  2009-05-16 12:37:42 ---
The data is synced with BODR now. That part is fixed.

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