Some Moment calculations . Vaughan

نویسنده

  • F. R. Jones
چکیده

برای دانلود رایگان متن کامل این مقاله و بیش از 32 میلیون مقاله دیگر ابتدا ثبت نام کنید

ثبت نام

اگر عضو سایت هستید لطفا وارد حساب کاربری خود شوید

منابع مشابه

DFT calculations on quetiapine hemifumarate as a pharmaceutical compound for the treatment of schizophrenia

In this work, the optimization calculations were carried out on quetiapine hemifumarat, 4, and its analogues, 1-5. These calculations were carried out using the B3LYP/6-31G(d) level of theory. The DFT calculations clarified a boat structure for dibenzothiazepine moiety of the molecule which piperazine moiety has a chair conformation. Thermal energies (E), enthalpies (H), and free energies (G) o...

متن کامل

Theoretical Calculations of Refractive Index of Synthesized One and Two Substituted Derivatives of Functionalized Bithiophene Compounds

In order to study the variation of electronic properties, a set of bithiophene derivatives has been ‎developed. Here, the effect of substitution on the aromaticity properties of some cyclic ‎bithiophene derivative compounds was investigated using theoretical calculations. Calculations ‎were performed at B3LYP/6-31+G (d,p) level; and calculated properties included energy, dipole ‎moment, total c...

متن کامل

IR spectroscopic study and DFT calculations on dibenzyltin dichloride

Benzyl chloride and tin powder were used to prepare dibenzyltin dichloride according to a literatureprocedure. In this study, IR spectroscopy, HOMO-LUMO energy gap, NBO analysis, polarizability,some geometrical parameters, natural charge and electrical potential of atoms, global hardness,electronic chemical potential, global electrophilicity index, and molar volume of dibenzyltindichloride were...

متن کامل

Infrared identification of matrix isolated H2O.O2.

Theoretical studies of the H2O.O2 complex have been carried out over the past decade, but the complex has not previously been experimentally identified. We have assigned IR vibrations from an H2O.O2 complex in an inert rare gas matrix. This identification is based upon theoretical calculations and concentration dependent behavior of absorption bands observed upon co-deposition of H2O and O2 in ...

متن کامل

محاسبه ترازهای انرژی پایین ایزوتوپهای زوج-زوج کادمیوم، قلع و تلور در چارچوب مدل بوزونی بر همکنش‌دار (IBM-1)

  The dynamical symmetries in even-even nuclei were investigated by Arima and Iachello in 1974, and led to a model called ;ampquotInteracting Boson Model, (IBM)".   In this article we have outlined some basic ideas used in IBM-1 and carried out the calculations for low laying energy levels of even-even isotopes Cd, Sn and Te via PHINT code.   The calculations for energy and quadra pole moment t...

متن کامل

ذخیره در منابع من


  با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید

عنوان ژورنال:

دوره   شماره 

صفحات  -

تاریخ انتشار 2008