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

Journal of Chemical Theory and Computation

Volumn 7, Issue 8, 2011, Pages 2358-2369

  Pérez, Alejandro ^a,b,c   Von Lilienfeld, O Anatole ^c,d,e  

^a NEW YORK UNIVERSITY   (United States)

^b Centro Joxe Mari Korta   (Spain)

^c UNIVERSITY OF CALIFORNIA   (United States)

^d SANDIA NATIONAL LABORATORIES   (United States)

^e ARGONNE NATIONAL LABORATORY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 80051617031     PISSN: 15499618     EISSN: 15499626     Source Type: Journal    
DOI: 10.1021/ct2000556     Document Type: Article

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