Structural flexibility of the sulfur mustard molecule at finite temperature from Car-Parrinello molecular dynamics simulations

Structural flexibility of the sulfur mustard molecule at finite temperature from Car-Parrinello molecular dynamics simulations

Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Journal of Hazardous Materials - Volume 306, 5 April 2016, Pages 269-277

Joanna Lach, Jakub Goclon, Pawel Rodziewicz,