Path integral computation of quantum free energy differences due to alchemical transformations involving mass and potential

  1. Pérez, A.
  2. Von Lilienfeld, O.A.
Revue:
Journal of Chemical Theory and Computation

ISSN: 1549-9618 1549-9626

Année de publication: 2011

Volumen: 7

Número: 8

Pages: 2358-2369

Type: Article

DOI: 10.1021/CT2000556 GOOGLE SCHOLAR

Objectifs de Développement Durable