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[Bug 192551] New: erroneous molecular weight of some elementshttps://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) -- Configure bugmail: https://bugs.kde.org/userprefs.cgi?tab=email ------- You are receiving this mail because: ------- You are the assignee for the bug. _______________________________________________ Kalzium mailing list Kalzium@... https://mail.kde.org/mailman/listinfo/kalzium |
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[Bug 192551] erroneous molecular weight of some elementshttps://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. -- Configure bugmail: https://bugs.kde.org/userprefs.cgi?tab=email ------- You are receiving this mail because: ------- You are the assignee for the bug. _______________________________________________ Kalzium mailing list Kalzium@... https://mail.kde.org/mailman/listinfo/kalzium |
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[Bug 192551] erroneous molecular weight of some elementshttps://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. -- Configure bugmail: https://bugs.kde.org/userprefs.cgi?tab=email ------- You are receiving this mail because: ------- You are the assignee for the bug. _______________________________________________ Kalzium mailing list Kalzium@... https://mail.kde.org/mailman/listinfo/kalzium |
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