The molecular dynamics of CH2CI 2 in the liquid state have been simulated with two model representations of the intermolecular potential. These consist of a 3 x 3 and 5 x 5 atom-atom simulation with or without fractional charges at the atomic sites. A variety of thermodynamical and spectroscopic r
β¦ LIBER β¦
Non-Gaussian effects in the computer simulation of dichloro methane
β Scribed by M. Ferrario; P. Marin; P. Grigolini; M.W. Evans
- Publisher
- Elsevier Science
- Year
- 1983
- Tongue
- English
- Weight
- 321 KB
- Volume
- 26
- Category
- Article
- ISSN
- 0167-7322
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## Abstract Carbonβ13 NMR spectra were measured for 25 methyl esters of aliphatic dichlorocarboxylic acids for substituted propanoic to hexanoic acids. Observed ^13^C shifts are compared with calculated shift values obtained from the shifts of the corresponding monochloro esters by applying a simpl