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chemaxoncalclogp [2012/10/14 11:42] rkisschemaxoncalclogp [2012/10/14 11:50] rkiss
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 == 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<sup>-</sup> concentration**
  
 range: 0 - 0.25 M, default: 0.1 M range: 0 - 0.25 M, default: 0.1 M
  
-== Na<sup>+</sup> + K<sup>+</sup> concentration ==+**Na<sup>+</sup> + K<sup>+</sup> concentration**
  
 range: 0 - 0.25 M, default: 0.1 M range: 0 - 0.25 M, default: 0.1 M
 +
  
 == pH == == pH ==
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 Consider tautomerization and resonance Consider tautomerization and resonance
 +
 +==== References ====
 +
chemaxoncalclogp.txt · Last modified: 2012/10/15 09:11 by rkiss