Bulk Liquid Water at Ambient Temperature and Pressure from MP2 Theory
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چکیده
منابع مشابه
Correction to "Bulk Liquid Water at Ambient Temperature and Pressure from MP2 Theory".
MP2 provides a good description of hydrogen bonding in water clusters and includes longrange dispersion interactions without the need to introduce empirical elements in the description of the interatomic potential. To assess its performance for bulk liquid water under ambient conditions, an isobaric-isothermal (NpT) Monte Carlo simulation at the second-order Moller-Plesset perturbation theory l...
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ژورنال
عنوان ژورنال: The Journal of Physical Chemistry Letters
سال: 2013
ISSN: 1948-7185
DOI: 10.1021/jz401931f