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On the absolute thermodynamics of water from computer simulations: A comparison of first-principles molecular dynamics, reactive and empirical force fields Pascal, Tod A.; Schaerf, Daniel; Jung, Yousung; Kuehne, Thomas D., JOURNAL OF CHEMICAL PHYSICS, v.137, no.24, 2012-12 |
pH-Dependent Conformations for Hyperbranched Poly(ethylenimine) from All-Atom Molecular Dynamics Kim, In; Pascal, Tod A.; Park, Seong-Jik; Diallo, Mamadou S; Goddard, William A., III; Jung, Yousung, MACROMOLECULES, v.51, no.6, pp.2187 - 2194, 2018-03 |
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