Comparison of the TIP4P-2005, SWM4-DP and BK3 interaction potentials of liquid water with respect to their consistency with neutron and X-ray diffraction data of pure water

• Дата: 2013
• Автори: Steinczinger, Z., Pusztai, L.
• Формат: Стаття
• Мова: English
• Опубліковано: Інститут фізики конденсованих систем НАН України 2013
• Назва видання: Condensed Matter Physics
• Онлайн доступ: http://dspace.nbuv.gov.ua/handle/123456789/120855
• Назва журналу: Digital Library of Periodicals of National Academy of Sciences of Ukraine
• Цитувати: Comparison of the TIP4P-2005, SWM4-DP and BK3 interaction potentials of liquid water with respect to their consistency with neutron and X-ray diffraction data of pure water / Z. Steinczinger, L. Pusztai // Condensed Matter Physics. — 2013. — Т. 16, № 4. — С. 43604:1-8. — Бібліогр.: 24 назв. — англ.

Following a fairly comprehensive study on popular interaction potentials of water (Pusztai et al 2008, J. Chem. Phys., 129, 184103), here two more recent, polarizable potential sets, SWM4-DP (Lamoureux et al., Chem. Phys. Lett., 2006, 418, 245) and BK3 (Kiss et al. J. Chem. Phys., 2013, 138, 204507)...