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--- chemaxoncalclogp [2012/10/11 23:02] – rkiss
+++ chemaxoncalclogp [2012/10/14 11:50] – rkiss
@@ Line 6: / Line 6: @@
-Method
+== Method ==
-Weights of the three, built-in calculation methods: VG (ref:Viswanadhan, V. N.; Ghose, A. K.; Revankar, G. R.; Robins, R. K. J. Chem. Inf. Comput. Sci., 1989, 29, 163-172), KLOP (ref: Klopman, G.; Li, Ju-Yun.; Wang, S.; Dimayuga, M. J. Chem. Inf. Comput. Sci., 1994, 34, 752), PHYS (ref:PHYSPROP© database)
+Weights of the three, built-in calculation methods: VG (Viswanadhan, V. N.; Ghose, A. K.; Revankar, G. R.; Robins, R. K. J. Chem. Inf. Comput. Sci., 1989, 29, 163-172), KLOP (Klopman, G.; Li, Ju-Yun.; Wang, S.; Dimayuga, M. J. Chem. Inf. Comput. Sci., 1994, 34, 752), PHYS (PHYSPROP© database).
+**Cl<sup>-</sup> concentration**
-Cl- concentration
 range: 0 - 0.25 M, default: 0.1 M
-Na+ + K+ concentration
+**Na<sup>+</sup> + K<sup>+</sup> concentration**
 range: 0 - 0.25 M, default: 0.1 M
-pH
+== pH ==
 Calculates logarithm of the partition coefficient of the major microspecies (not neutral form) at the given pH (blank: input protonation state)
-Tautomerization
+== Tautomerization ==
 Consider tautomerization and resonance
+==== References ====