Organic Liquids: Structure, Dynamics, and Chemical Properties (Buckingham, A. D.; Lippert, E.; Bratos, S.)

Structure and dynamics of coupled viscous liquids

Structure and Properties of Neat Liquids Using Nonadditive Molecular Dynamics: Water, Methanol, and N-Methylacetamide

We present the first nonadditive molecular dynamics simulation of organic liquids, studying the structure and energetics of methanol and N-methylacetamide. Beginning with an additive potential that reproduces the structure and energetics of these liquids quite well, we have shown that one can simply reduce the atomic charges by a scale factor in the range of 0.88-0.90 and add isotropic atomic p...

Predicting biological effect as a function of the chemical structure and the primary physical and chemical properties of organic compounds.

The dependence of biological parameters on chemical structure was studied for a series of compounds with similar chemical structures. Computational formulas were developed on the basis of correlation and regression analysis. These formulas make it possible to predict the biological effect thresholds for a great number of organic compounds on the basis of their primary physical and chemical prop...

extraction and acetylation of purified trypsin from bovin pancreas and study of some its physico-chemical properties

آنزیم تریپسین در شرایط قلیایی ناپایدار می باشد .و فعالیت پروتئولیتیکی تریپسین منجربه خود هضمی آن در جایگاههای خاصی می گردد. بنابر این آنزیمی با ناپایداری بالا محسوب میگردد. در سالهای اخیر موفق شدند که با ایجاد تغیرات شیمیایی با اضافه کردن فلزات خاص ، کلسیم و یا عمل استیلاسیون منجر به افزایش پایداری آنزیم تریپسین گردند. مطالعات در حال حاضر نشان می دهد که تریپسین استیله شده فعالیت آنزیمی خود را ...

Integrated Analysis of D E M a N D -s I D E Programs

We use a case study of residential appliance efficiency standards in the Nevada Power Company service territory t o illustrate an integrated method for evaluating the load shape and economic impacts of demand side utility programs. The method consists of four models: the LBL Residential Energy Demand Model, the DOE-2 Building Energy Analysis Model, the LBL Residential Hourly Load and Peak Deman...