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Publikováno v:
The Journal of Physical Chemistry B. 123:4594-4603
Constant pressure simulations were carried out to construct a new rigid nonpolarizable seven-site water model (TIP7P), which is an effective and efficient version of flexible seven-fluctuating-charge water model. In this model, the positive charges a
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::fd533c40c5c7efa38a9e6cbcf0b52bf2
https://doi.org/10.1021/acs.jpcb.9b03149
https://doi.org/10.1021/acs.jpcb.9b03149
