✦ LIBER ✦

Monte carlo study of liquid water with two- and three-body ab initio potentials

✍ Scribed by E. Clementi; G. Corongiu

Publisher: John Wiley and Sons
Year: 2009
Tongue: English
Weight: 530 KB
Volume: 24
Category: Article
ISSN: 0020-7608
DOI: 10.1002/qua.560240707

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

A Theoretical Study of the Hydration of

A Theoretical Study of the Hydration of Li+by Monte Carlo Simulations with Refined Ab Initio Based Model Potentials

✍ María Luisa San-Román; Mauricio Carrillo-Tripp; Humberto Saint-Martin; Jorge Her 📂 Article 📅 2006 🏛 Springer 🌐 English ⚖ 508 KB

A theoretical study of the hydration of

A theoretical study of the hydration of Rb+by Monte Carlo simulations with refined ab initio-based model potentials

✍ María Luisa San-Román; Jorge Hernández-Cobos; Humberto Saint-Martin; Iván Ortega 📂 Article 📅 2009 🏛 Springer 🌐 English ⚖ 682 KB

Liquid and solid phases of water: an ext

Liquid and solid phases of water: an extensive molecular dynamics simulation with an ab initio polarizable potential

✍ Enrico Clementi; Giorgina Corongiu; Francesco Sciortino 📂 Article 📅 1993 🏛 Elsevier Science 🌐 English ⚖ 820 KB

Multiple ionization effects on the yield

Multiple ionization effects on the yields of HO2/O2− and H2O2 produced in the radiolysis of liquid water with high-LET 12C6+ ions: a Monte-Carlo simulation study

✍ Jintana Meesungnoen; Abdelali Filali-Mouhim; Nitaya Snitwongse Na Ayudhya; Samle 📂 Article 📅 2003 🏛 Elsevier Science 🌐 English ⚖ 195 KB

Monte-Carlo simulations are used to investigate the effects of multiple ionization on the formation of HO Å 2 /O ÅÀ 2 and H 2 O 2 in the radiolysis of water by 12 C 6þ ions up to $430 keV/lm, at neutral pH and 25 °C. Taking into account the double and triple ionizations of water molecules, the prima