Energy-linearized methods

LORG (localized orbital-local origin) technique for removing dependence on the coordinate system when computing NMR chemical shifts LSDA (local spin-density approximation) approximation used in more approximate DFT methods for open-shell systems LSER (linear solvent energy relationships) method for computing solvation energy... 

Free energy functions, 89, 90, 94 Free energy perturbation method (FEP), 81-82,146, 186-187 computer program for, 97-98 Free energy relationships, linear, 92-96, 148-149... 

Improvements in the physical selectivity, from orthovoltage x-ray to cobalt-60 and high-energy linear accelerators, combined with more powerful diagnostic tools and radiation delivery methods have continuously improved the results of photon therapy (3-D or inverse planning, conformal- and intensity-modulated radiation therapy, and stereotactic methods). The safety and the reliability of photon therapy are well established. 

In the remainder of this chapter, newly developed methods such as a molecular modeling approach (Bodor and Huang, 1992 Zhou et al., 1993), a group contribution approach (V Mita et al., 1986 Klopman et al., 1992 Kthne et al., 1995 Myrdal et al., 1995), and a frequently used linear free-energy relationship method (Taft et al., 1985 Lee, 1996) will be discussed. 

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