A quantum chemical study of the corrosion inhibition properties of some organic inhibitormolecules, pyridine, 2-picoline, 3-picoline, 4-picoline, 2, 4-lutidine at the aluminum surface inhydrochloric acid (HCl) was carried out. The models of the inhibitors adsorption on the Al-surfacewere optimized with the HF and B3LYP level using the 6-31G and LANL2DZ basis sets fromthe program package Gaussia...

We investigate the effect of foreground residuals in the WMAP data (Bennett et al. 2003a) by adding foreground contamination to Gaussian ensembles of CMB signal and noise maps. We evaluate a set of non-Gaussian estimators on the contaminated ensembles to determine with what accuracy any residual in the data can be constrained using higher order statistics. We apply the estimators to the raw and...

an azobenzene bridge was introduced into the lower (or smaller) rim of p-tert-butylcalix[8]arene to form 1,5-singly bridged calix[8]arene derivatives, respectively. bridged calix[8]arene of conformationally rigid wereisolated. the stability of the two structures of bridged calix[8]arenes have been compared.the study of organicstructure to form nanoporous structures is a well known in chemistry ...

in recent years there has been considerable interest in the structures, energies and thermodynamics of(gan)4 clusters and it is the subject of many experimental and theoretical studies because of theirfundamental importance in chemical and physical process. all calculation of this study is carried outby gaussian 98. geometry optimization for (gan)4 nanocluster are be fulfilled at b3lyp, b1lypan...

a quantum chemical study of the corrosion inhibition properties of some organic inhibitormolecules, pyridine, 2-picoline, 3-picoline, 4-picoline, 2, 4-lutidine at the aluminum surface inhydrochloric acid (hcl) was carried out. the models of the inhibitors adsorption on the al-surfacewere optimized with the hf and b3lyp level using the 6-31g and lanl2dz basis sets fromthe program package gaussia...

in this paper,the molecular geometry for three tautomers of uracil and four tautomers of cytosine has been analyzed. vibrational ir spectra of the tautomers were   investigated at hf and b3lyp level using the ab initio 6-31g* and lanl2dz basis sets from the program package gaussian 98 (a.7 public domain version). the physico-chemical and biochemical properties of uracil and cytosine are one of...

These are the notes for a course taught at the University of Michigan in W89 as Math 732 and in W98 as Math 776. They are available at www.math.lsa.umich.edu/∼jmilne/ Please send comments and corrections to me at [email protected]. v2.01 (August 9, 1998). First version on the web.

Will reading habit influence your life? Many say yes. Reading graphics programming in c writing graphics applications for windows 98 is a good habit; you can develop this habit to be such interesting way. Yeah, reading habit will not only make you have any favourite activity. It will be one of guidance of your life. When reading has become a habit, you will not make it as disturbing activities ...

The transport of photoinjected charges in disordered organic films is often interpreted using a formula based on a Gaussian disorder model (GDM) that neglects spatial correlations due to chargedipole interactions, even though such correlations have recently been shown to explain the universal electric field dependence observed in these systems. Based on extensive computer simulations of a 3D di...