Muller-Brown surfaces

Fig. 10.9. Reaction path following on the Muller-Brown surface using Euler, Ishida, Morokuma, and Komomicki (IMK), local quadratic approximation (LQA), Hratchian-Schlegel (HS), and second-order Gonzalez-Schlegel (GS2) methods.

Figure 2 Gradient extremal paths on the MUller-Brown mixlel potential energy surface. Solid lines contours dotted lines selected steepest descent lines bold lines gradient extremals. Reproduced with permission from J. Q. Sun and K. Ruedenberg, J. Chem. Phys., 1993, 98, 9707. Copyright (1993) American Institute of Physics...

Doyle CS, Traina SJ, Ruppert H, Kandelewicz T, Rehr JJ, Brown GE Jr (1999) XANES studies at the A1 X-edge of aluminum-rich surface phases in the soil environment. J Synchrotron Rad 6 621-623 Drager G, Frahm R, Materlik G, Briimmer O (1988) On the multiplet character of the X-ray transitions in the pre-edge stmcture of Fe K absorption spectra. Phys Status Solidi 146 287-294 Drits VA, Dainyak LG, Muller F, Besson G, Manceau A (1997) Isomorphous cation distribution in celadonites, glauconites and Fe-illites determined by infrared, Mdssbauer and EXAFS spectroscopies. Clay Minerals 32 153-179... 

---