Paper Citing NAMD - Abstract
Zobnina, V.G.; Kosevich, M.V.; Chagovets, V.V.; Boryak, O.A.; Kulyk, A.N.; Gomory, A.
Stable associates of polyether oligomers with chlorine anion as revealed by electrospray mass spectrometry and molecular dynamics
Mass-spektrometriya, 7:225-231, 2010
Stable complexes of oligomers of oxyethylated glycerol derivatives with chlorine anion were observed in negative ion electrospray mass spectra for the first time. Molecular dynamics simulation have shown that stabilization of such complexes in the gas phase is due to formation of the quasi-cyclic structure of the polymeric chain wrapped around the chlorine anion coordinated by CH2 and OH groups of the oligomer. Such a structure is inversed in relation to well known quasi-cyclic structure formed due to coordination of metal cations by ether oxygens of the polyether chain.
