“Frontier Electron Density” in Saturated Hydrocarbons

نویسندگان
چکیده

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

اگر عضو سایت هستید لطفا وارد حساب کاربری خود شوید

منابع مشابه

Bicyclic Saturated Hydrocarbons

Compact codes, recently introduced (ref. 1), have been applied to all known bicyclic saturated hydrocarbons as the first step in a systematic deriving compact codes for more complex ring systems. The codes are compared with IUPAC nomenclature for bicyclic compounds, as well as with WLN (Wiswesser Line Notation). Advantages of the compact codes are outlined, including qualified algebraic manipul...

متن کامل

Eigenvalues of Saturated Hydrocarbons

A simplified Hückel-type molecular-orbital (MO) model for the valence electrons of saturated hydrocarbons is proposed and the consequent eigenvalue spectrum considered. A first foundational result is obtained, which every chemist “knows”, namely that: alkanes are stable, with half their (Hückeltype MO) eigenvalues positive and half negative.

متن کامل

Bonding in Polycyclic Aromatic Hydrocarbons in Terms of the Electron Density and of Electron Delocalization

We show that the delocalization indices calculated within the framework of the quantum theory of atoms in molecules provide an excellent basis for the definition of a bond order in polycyclic aromatic hydrocarbons. We show that the two-electron information contained within the delocalization index can be estimated from the electron density at the bond critical point, a mapping that has no a pri...

متن کامل

Anaerobic biodegradation of saturated and aromatic hydrocarbons.

Saturated and aromatic hydrocarbons are wide-spread in our environment. These compounds exhibit low chemical reactivity and for many decades were thought to undergo biodegradation only in the presence of free oxygen. During the past decade, however, an increasing number of microorganisms have been detected that degrade hydrocarbons under strictly anoxic conditions.

متن کامل

Estimation of the flash points of saturated and unsaturated hydrocarbons

This work introduces a novel, reliable and simple correlation for predicting the flash point of various types of saturated and unsaturated hydrocarbons containing cyclic and acyclic paraffins, olefins, alkynes and aromatic hydrocarbons. It is shown that the new method is based on the number of carbon and hydrogen atoms and some specific molecular moieties, which can easily be used for any types...

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

ژورنال

عنوان ژورنال: Bulletin of the Chemical Society of Japan

سال: 1961

ISSN: 0009-2673,1348-0634

DOI: 10.1246/bcsj.34.442