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Physical Review Letters

Volumn 107, Issue 8, 2011, Pages

Graph theory meets ab initio molecular dynamics: Atomic structures and transformations at the nanoscale

(2) Pietrucci, Fabio a Andreoni, Wanda a

a EPFL (Switzerland)

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO; AB INITIO MOLECULAR DYNAMICS; BOND NETWORKS; CONTACT MATRIX; DISSOCIATION REACTIONS; LARGEST EIGENVALUES; LOW ENERGIES; METADYNAMICS; NANO SCALE;

ASSOCIATION REACTIONS; ATOMS; EIGENVALUES AND EIGENFUNCTIONS; GRAPH THEORY; ISOMERS; REACTION KINETICS;

MOLECULAR DYNAMICS;

EID: 84859756922 PISSN: 00319007 EISSN: 10797114 Source Type: Journal
DOI: 10.1103/PhysRevLett.107.085504 Document Type: Article

Times cited : (129)

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