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Using Molecular Orbital Calculations To Describe the Phase Behavior of Cross-associating Mixtures

✍ Scribed by Wolbach, Jeffrey P.; Sandler, Stanley I.


Book ID
120541594
Publisher
American Chemical Society
Year
1998
Tongue
English
Weight
126 KB
Volume
37
Category
Article
ISSN
0888-5885

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Calculation of the electronic stopping c
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The modified Firsov model has been applied to the calculation of the electronic stopping cross-section of compounds for low energy protons by using molecular orbitals. We used the Symmetry Adapted Linear Combination of Atomic Orbitals representation of molecular orbitals, instead of Floating Spheric