Orbits in the H(2)O molecule.
نویسندگان
چکیده
We study the forms of the orbits in a symmetric configuration of a realistic model of the H(2)O molecule with particular emphasis on the periodic orbits. We use an appropriate Poincare surface of section (PSS) and study the distribution of the orbits on this PSS for various energies. We find both ordered and chaotic orbits. The proportion of ordered orbits is almost 100% for small energies, but decreases abruptly beyond a critical energy. When the energy exceeds the escape energy there are still nonescaping orbits around stable periodic orbits. We study in detail the forms of the various periodic orbits, and their connections, by providing appropriate stability and bifurcation diagrams. (c) 2001 American Institute of Physics.
منابع مشابه
Understanding Hydrogen Adsorption in MIL-47-M (M = V and Fe) through Density Functional Theory
The present paper aims to investigate the role of open metal site metal-organic frameworks (MOFs) on hydrogen adsorptivity using periodic boundary condition (PBC) density functional theory (DFT). Hence, MIL-47-M (M = V and Fe) were selected and one hydrogen molecule adsorptivity was calculated in different orientations on them. Four different chemical sites were identified in every cluster sect...
متن کاملتهیه و بررسی ساختار بلوری ترکیب بیس (3،'5،3،'5 –تترامتیل بنزیدینیوم) بیس (پیریدین-6،2-دیکربوکسیلاتو) نیکلات (II) مونوهیدرات
The compound of (Htmb)2[Ni(pydc)2)].H2O (1) (In that tmb and pydc are 3,3¢,5,5¢-tetramethyl benzidine and pyridine -2,6- dicarboxylic acid, respectively) was synthesized via the proton transfer method and the structure was determined by single crystal X-ray diffraction. This compound crystalized in monoclinic crystal system and C2/c space group. In the asymmetry unit of compound 1, there are h...
متن کاملCell damaging by irradiating non-thermal plasma to the water: Mathematical modeling of chemical processes
Recently non-thermal plasma (NTP) is applied for many therapeutic applications. By NTP irradiating to the tissues or cell-lines, the water molecules (H2O) would be also activated leading to generate hydrogen peroxide (H2O2). By irradiating plasma to bio-solution, its main output including vacuum UV to UV causes the photolysis of H2O leading to generat...
متن کاملA Study on the Electronic and Structural Properties of C12X8 (X = C, B) and Their Interaction with Glycine with Potentially Drug Delivery Vessels
In this paper, the structural properties of C20 and C12B8 fullerene interacting with glycine based onthree active sites of glycine and one C atom or one B atom in C12B8 were analyzed through thedensity functional theory. It was found out that the binding of glycine to C12B8 generated a complex.Our results were extremely relevant in order to identify the potential applications of functionalizedC...
متن کاملQM/MM Study on the Mechanism of Aminophenol Oxidation by Functionalized β-Cyclodextrin as Oxidase Nanomimic
In this study, functionalized β-cyclodextrin (β-CD) by aldehyde group was investigated as an oxidase enzyme mimic for the amino phenol oxidation. All calculations were performed by GAUSSIAN 09 package using two layers ONIOM method at the ONIOM (MPW1PW91/6-311++G(d,p)/UFF) level. In the first step, H2O2 is encapsulated in the hydrophobic cavity. In the second step, H2<...
متن کاملذخیره در منابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
برای دانلود متن کامل این مقاله و بیش از 32 میلیون مقاله دیگر ابتدا ثبت نام کنید
ثبت ناماگر عضو سایت هستید لطفا وارد حساب کاربری خود شوید
ورودعنوان ژورنال:
- Chaos
دوره 11 2 شماره
صفحات -
تاریخ انتشار 2001