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A Shock Fitting Procedure Based on Monte Carlo Calculations: Application to Slow Shocks

✍ Scribed by Lin, C. C.; Feng, H. Q.; Chao, J. K.; Lee, L. C.; Lyu, L. H.; Wu, D. J.


Book ID
119673433
Publisher
American Geophysical Union
Year
2008
Tongue
English
Weight
500 KB
Volume
113
Category
Article
ISSN
0148-0227

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## Abstract This study describes the framework of the quantum mechanical (QM)/Monte Carlo (MC)/free‐energy perturbation (FEP) method, a FEP method based on MC simulations using quantum chemical calculations. Because a series of structures generated by interpolating internal coordinates between tran