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A simple pharmacokinetics subroutine for modeling double peak phenomenon

✍ Scribed by Ahmad Mirfazaelian; Massoud Mahmoudian


Publisher
John Wiley and Sons
Year
2006
Tongue
English
Weight
102 KB
Volume
27
Category
Article
ISSN
0142-2782

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The potential energy surfaces for rotation and pyramidalization on the double bond for the singlet ground state and the first triplet state in 1 ,Zdihydroxyethylene are calculated with the ab initio molecular orbital method. Full geometry optimizations are carried out at the HF-SCF including MP2 lev