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Title: Development of Transferable Interaction Models for Water: III. Reparameterization of an All-Atom Polarizable Rigid Model (TTM2-R) from First Principles

Journal Article · · Journal of Chemical Physics
DOI:https://doi.org/10.1063/1.1423942· OSTI ID:15002192
 [1];  [2]
  1. ASSOC WESTERN UNIVERSITY
  2. BATTELLE (PACIFIC NW LAB)

No abstract prepared.

Research Organization:
Pacific Northwest National Lab., Richland, WA (US)
Sponsoring Organization:
US Department of Energy (US)
DOE Contract Number:
AC06-76RL01830
OSTI ID:
15002192
Report Number(s):
PNNL-SA-34387; KC0301020; TRN: US200408%%112
Journal Information:
Journal of Chemical Physics, Vol. 116, Issue 4; Other Information: PBD: 22 Jan 2002
Country of Publication:
United States
Language:
English