( ( Examples ( of ( a ( ChemViz simulation ) ) ) ) ( ( include ( ( ( ( ( ( plotting ( ( the energy ) ( of ( ( a reaction ) ( along ( a ( reaction coordinate ) ) ) ) ) ) ) , ) ( ( visualizing ( the ( electron ( density changes ) ) ) ) ( during ( such ( a reaction ) ) ) ) ) , ) or ) ( visualizing ( ( the ( participating ( electronic orbitals ) ) ) ( involved ( in ( bond-making ( and ( - ( breaking processes ) ) ) ) ) ) ) ) ) ) . ) )
(ROOT (S (NP (NP (NNS Examples)) (PP (IN of) (NP (DT a) (NNP ChemViz) (NN simulation)))) (VP (VBP include) (S (VP (VP (VBG plotting) (NP (NP (DT the) (NN energy)) (PP (IN of) (NP (NP (DT a) (NN reaction)) (PP (IN along) (NP (DT a) (NN reaction) (NN coordinate))))))) (, ,) (VP (VBG visualizing) (NP (DT the) (JJ electron) (NN density) (NNS changes)) (PP (IN during) (NP (PDT such) (DT a) (NN reaction)))) (, ,) (CC or) (VP (VBG visualizing) (NP (NP (DT the) (VBG participating) (JJ electronic) (NNS orbitals)) (VP (VBN involved) (PP (IN in) (NP (NN bond-making) (CC and) (JJ -) (NN breaking) (NNS processes))))))))) (. .)))
Examples of a ChemViz simulation include plotting the energy of a reaction along a reaction coordinate, visualizing the electron density changes during such a reaction, or visualizing the participating electronic orbitals involved in bond-making and -breaking processes.
(ROOT (S (NP (JJ Catabolic) (NNS reactions)) (VP (VBP involve) (S (VP (VBG breaking) (NP (NNS bonds))))) (. .)))