NDLI: Ab initio QM / MM dynamics in aqueo

Content Provider	Semantic Scholar
Author	Tongraar, Anan Rode, Michael
Copyright Year	2005
Abstract	Dynamical properties of F –water and Cl –water hydrogen bond molecular dynamics simulations, in which the whole first hydration D95V+, 6-31+G and D95V++ basis sets for F , Cl and water, respe and shifts in the corresponding bending and stretching frequencies as ing the ions, F clearly acts as a structure-maker , while Cl solvat ments of the hydrogen bonds. 2005 Elsevier B.V. All rights reserved.
File Format	PDF HTM / HTML
Alternate Webpage(s)	http://sutir.sut.ac.th:8080/sutir/bitstream/123456789/2046/1/BIB1261_A.pdf
Language	English
Access Restriction	Open
Content Type	Text
Resource Type	Article

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