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相关概念视频

The Bohr Model02:18

The Bohr Model

Following the work of Ernest Rutherford and his colleagues in the early twentieth century, the picture of atoms consisting of tiny dense nuclei surrounded by lighter and even tinier electrons continually moving about the nucleus was well established. This picture was called the planetary model since it pictured the atom as a miniature “solar system” with the electrons orbiting the nucleus like planets orbiting the sun. The simplest atom is hydrogen, consisting of a single proton as the nucleus...
The Energies of Atomic Orbitals03:21

The Energies of Atomic Orbitals

In an atom, the negatively charged electrons are attracted to the positively charged nucleus. In a multielectron atom, electron-electron repulsions are also observed. The attractive and repulsive forces are dependent on the distance between the particles, as well as the sign and magnitude of the charges on the individual particles. When the charges on the particles are opposite, they attract each other. If both particles have the same charge, they repel each other.
Ionization Energy03:12

Ionization Energy

The amount of energy required to remove the most loosely bound electron from a gaseous atom in its ground state is called its first ionization energy (IE1). The first ionization energy for an element, X, is the energy required to form a cation with 1+ charge:
Electron Affinity03:07

Electron Affinity

The electron affinity (EA) is the energy change for adding an electron to a gaseous atom to form an anion (negative ion).
Nuclear Binding Energy02:13

Nuclear Binding Energy

The difference between the calculated and experimentally measured masses is known as the mass defect of the atom. In the case of helium-4, the mass defect indicates a “loss” in mass of 4.0331 amu – 4.0026 amu = 0.0305 amu. The loss in mass accompanying the formation of an atom from protons, neutrons, and electrons is due to the conversion of that mass into energy that is evolved as the atom forms. The nuclear binding energy is the energy produced when the atoms’ nucleons are bound together;...
Finding Electric Potential From Electric Field01:13

Finding Electric Potential From Electric Field

For a system of charges, it is easy to calculate the system's potential because potential is a scalar quantity. However, in some instances where calculating the electric field is more straightforward than finding the potential, the electric field is used to calculate the system's potential. For a positive charge, the electric field is radially outward, and the potential is positive at any finite distance from the positive charge. In such an electric field, the motion away from the positive...

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Electrochemically and Bioelectrochemically Induced Ammonium Recovery
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Published on: January 22, 2015

脱氧核酸离子的基和酸电子脱离能量.

Viatcheslav V Zakjevskii1, Samuel J King, Olga Dolgounitcheva

  • 1Department of Chemistry, Kansas State University, Manhattan, KS 66506-3701, USA.

Journal of the American Chemical Society
|October 13, 2006
PubMed
概括
此摘要是机器生成的。

光电子光谱揭示了脱氧核酸离子中独特的键. 计算确定了与酸盐和基结构相关的独特电子脱离能量,有助于阴离子的表征.

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科学领域:

  • 计算化学是一种计算化学.
  • 量子化学是一种量子化学.
  • 分子物理分子物理学

背景情况:

  • 脱氧核酸离子是基本的生物分子.
  • 了解它们的电子结构对于分子生物学和药物设计至关重要.
  • 之前的研究已经探索了它们的特性,但详细的电子解释仍然具有挑战性.

研究的目的:

  • 为了解释脱氧核酸离子的光电子光谱.
  • 为了阐明这些离子的电子结构和结合特性.
  • 为特定的戴森轨道 (DO) 赋予垂直电子脱离能量 (VEDEs).

主要方法:

  • 使用ab initio电子传播器计算.
  • 在脱氧核酸离子上进行量子化学计算.
  • 分析光电子光谱数据与理论计算结合.

主要成果:

  • 脱氧核酸离子的基态结构表现出在不太稳定的配置中不存在的键.
  • 两个垂直电子脱离能量 (VEDEs) 氨酸和胺氨酸离子,在0.1 eV以内,对应于酸盐和基中心的戴森轨道 (DOs).
  • 丁离子的第一个VEDE与酸盐中心的DO联系在一起,而瓜诺辛离子的低VEDE被分配给以为中心的piDO.

结论:

  • 最初的电子传播器计算提供了对脱氧核酸离子光电子光谱的准确解释.
  • 该研究澄清了VEDE的电子起源,区分了酸盐和基中心的贡献.
  • 这项工作增强了对生物相关离子电子结构的理解.