Journament

Keyword Connections - ab initio molecular dynamics (md) simulations Keywords

Connection Type	Connection
Journals	journal of computational chemistry the journal of physical chemistry a
Research Groups	No Research Group Connected
Bibliographies	[1] QM and QM/MM umbrella sampling MD study of the formation of Hg(II)-thymine bond: Model for evaluation of the reaction energy profiles in solutions with constant pH. [2] Gas-Phase Complexes of Americium and Lanthanides with a Bis-Triazinyl Pyridine: Reactivity and Bonding of Archetypes for F-Element Separations.