Correlation Analysis of Rate Constants for Dechlorination by Zero-Valent Iron

Dehalogenation is among the most important processes involved in contaminant fate, but despite all the work that has been done on the kinetics of dehalogen...

MM Scherer，BA Balko，DA Gallagher，... - 《Environmental Science & Technology》

Minnesota Gaussian Solvation Module MN-GSM version 98.3.2

Z. We present a model for free energies of solvation based on Hartree--Fock self-consistent-reaction-field SCRF Z. calculations for electrostatics combined...

J Li，GD Hawkins，DA Liotard，...