The (ab initio) effective potential method developed previously has been applied to several molecules in order to establish a basis set and effective potential for iodine and to examine aspects of the potential surfaces of hypervalent compounds of iodine. Implied lone-pair stereochemical activity is found to agree well with experiment. Results for the structures and force constants closely rese...

The (ab initio) effective potential method developed previously has been applied to several molecules in order to establish a basis set and effective potential for iodine and to examine aspects of the potential surfaces of hypervalent compounds of iodine. Implied lone-pair stereochemical activity is found to agree well with experiment. Results for the structures and force constants closely rese...

0 d In this work, the group contribution approach has been used in combination with the linear isotherm regularity (LIR) equation of state to stimate pvT properties of primary, secondary and tertiary alcohols, ketones and 1-carboxylic acid. In addition, the isothermal compressibility nd thermal expansion coefficient of these compounds have been predicted. We assume each of these organic compoun...

The ability to identify directional interactions that occur among multiple neurons in the brain is crucial to an understanding of how groups of neurons cooperate in order to generate specific brain functions. However, an optimal method of assessing these interactions has not been established. Granger causality has proven to be an effective method for the analysis of the directional interactions...