Ignore:
Timestamp:
Oct 11, 2008, 4:07:45 PM (17 years ago)
Author:
Frederik Heber <heber@…>
Children:
45d5cc
Parents:
1e5e16
Message:

corrected number of valence orbitals for Calcium (2 -> 4) and inserted typical bond distance and angle (first taken from bpti, second guessed)

File:
1 edited

Legend:

Unmodified
Added
Removed

  • molecuilder/src/valence.db

    r1e5e16 r139f8c  
    181818      0.80000000000000E+01
    191919      0.30000000000000E+01
    20 20      0.20000000000000E+01
     2020      0.40000000000000E+01
    212121      0.30000000000000E+01
    222222      0.40000000000000E+01
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