The infrared spectrum of ortho-enstatite from reflectance experiments and first-principle simulations

the role of russia in transmission of energy from central asia and caucuses to european union

پس ازفروپاشی شوروی،رشد منابع نفت و گاز، آسیای میانه و قفقاز را در یک بازی ژئوپلتیکی انرژی قرار داده است. با در نظر گرفتن این منابع هیدروکربنی، این منطقه به یک میدانجنگ و رقابت تجاری برای بازی های ژئوپلتیکی قدرت های بزرگ جهانی تبدیل شده است. روسیه منطقه را به عنوان حیات خلوت خود تلقی نموده و علاقمند به حفظ حضورش می باشد تا همانند گذشته گاز طبیعی را به وسیله خط لوله مرکزی دریافت و به عنوان یک واس...

efl students gender and socioeconomic status: the use of politeness strategies in the first and second languages

within the components of communicative competence, a special emphasis is put on the “rules of politeness,” specifically the politeness strategies (brown and levinson, 1978) that speakers deploy when performing the request speech act. this is because the degree of imposition that making a request places upon one’s interlocutor(s) has been seen to be influenced by several factors among which, as ...

Infrared spectroscopy in the gas and liquid phase from first principle molecular dynamics simulations - Application to small peptides

Combining Experiments and Simulations Using the Maximum Entropy Principle

A key component of computational biology is to compare the results of computer modelling with experimental measurements. Despite substantial progress in the models and algorithms used in many areas of computational biology, such comparisons sometimes reveal that the computations are not in quantitative agreement with experimental data. The principle of maximum entropy is a general procedure for...

Infrared Absorption Spectrum of Brushite from First Principles

Brushite, CaHPO4·2H2O, is a crystalline hydrated acidic form of calcium phosphate that occurs in both physiological and pathological biomineralization processes. Additionally, it is biocompatible in humans. Several groups have investigated the experimental Fourier transform infrared vibrational spectrum of brushite. These investigations have led to a longstanding debate concerning the correct a...