Jove
Visualize
联系我们
JoVE
x logofacebook logolinkedin logoyoutube logo
关于 JoVE
概览领导团队博客JoVE 帮助中心
作者
出版流程编辑委员会范围与政策同行评审常见问题投稿
图书馆员
用户评价订阅访问资源图书馆顾问委员会常见问题
研究
JoVE JournalMethods CollectionsJoVE Encyclopedia of Experiments存档
教育
JoVE CoreJoVE BusinessJoVE Science EducationJoVE Lab Manual教师资源中心教师网站
使用条款与条件
隐私政策
政策

相关概念视频

The Quantum-Mechanical Model of an Atom02:45

The Quantum-Mechanical Model of an Atom

42.3K
Shortly after de Broglie published his ideas that the electron in a hydrogen atom could be better thought of as being a circular standing wave instead of a particle moving in quantized circular orbits, Erwin Schrödinger extended de Broglie’s work by deriving what is now known as the Schrödinger equation. When Schrödinger applied his equation to hydrogen-like atoms, he was able to reproduce Bohr’s expression for the energy and, thus, the Rydberg formula governing hydrogen spectra.
42.3K
The de Broglie Wavelength02:32

The de Broglie Wavelength

25.9K
In the macroscopic world, objects that are large enough to be seen by the naked eye follow the rules of classical physics. A billiard ball moving on a table will behave like a particle; it will continue traveling in a straight line unless it collides with another ball, or it is acted on by some other force, such as friction. The ball has a well-defined position and velocity or well-defined momentum, p = mv, which is defined by mass m and velocity v at any given moment. This is the typical...
25.9K
Molecular Orbital Theory I02:35

Molecular Orbital Theory I

32.0K
Overview of Molecular Orbital Theory
32.0K
Graphing the Wave Function01:13

Graphing the Wave Function

1.8K
Consider the wave equation for a sinusoidal wave moving in the positive x-direction. The wave equation is a function of both position and time. From the wave equation, two different graphs can be plotted.
1.8K
MO Theory and Covalent Bonding02:40

MO Theory and Covalent Bonding

10.5K
The molecular orbital theory describes the distribution of electrons in molecules in a manner similar to the distribution of electrons in atomic orbitals. The region of space in which a valence electron in a molecule is likely to be found is called a molecular orbital. Mathematically, the linear combination of atomic orbitals (LCAO) generates molecular orbitals. Combinations of in-phase atomic orbital wave functions result in regions with a high probability of electron density, while...
10.5K
The Wave Nature of Light02:12

The Wave Nature of Light

48.8K
The nature of light has been a subject of inquiry since antiquity. In the seventeenth century, Isaac Newton performed experiments with lenses and prisms and was able to demonstrate that white light consists of the individual colors of the rainbow combined together. Newton explained his optics findings in terms of a "corpuscular" view of light, in which light was composed of streams of extremely tiny particles traveling at high speeds according to Newton's laws of motion. 
48.8K

您也可能阅读

相关文章

通过共同作者、期刊和引用图与本文相关的文章。

排序
Same author

A non-innocent radical-anionic nitrosoarene ligand regularizes a formal palladium(I) complex to palladium(II).

Dalton transactions (Cambridge, England : 2003)·2026
Same author

On the impact of nuclear quantum effects on quantum chemical topology.

The Journal of chemical physics·2026
Same author

Rationalizing Spin-Crossover Properties of Substituted Fe (II) Complexes.

Inorganic chemistry·2025
Same author

Bis(amidophenolate)-supported pnictoranides: Lewis acid-induced electromerism in a bismuth complex.

Chemical science·2025
Same author

Effective Oxidation State Analysis for Solids.

Journal of chemical theory and computation·2025
Same author

NCI orbital decomposition and critical comparison to local correlation schemes.

Physical chemistry chemical physics : PCCP·2025

相关实验视频

Updated: Jun 26, 2025

Excitonic Hamiltonians for Calculating Optical Absorption Spectra and Optoelectronic Properties of Molecular Aggregates and Solids
08:04

Excitonic Hamiltonians for Calculating Optical Absorption Spectra and Optoelectronic Properties of Molecular Aggregates and Solids

Published on: May 27, 2020

8.4K

APOST-3D:来自波函数分析的化学概念

P Salvador1, E Ramos-Cordoba2,3,4,5, M Montilla1

  • 1Institut de Química Computacional i Catàlisi i Departament de Química, Universitat de Girona, Maria Aurèlia Capmany i Farnés 69, 17003 Girona, Catalonia, Spain.

The Journal of chemical physics
|May 15, 2024
PubMed
概括
此摘要是机器生成的。

APOST-3D软件使用原子在分子 (AIM) 分析将化学概念与分子电子结构连接起来. 这个开源工具提供了先进的波函数分析,帮助计算化学家和实验研究人员.

更多相关视频

Computation of Atmospheric Concentrations of Molecular Clusters from ab initio Thermochemistry
12:11

Computation of Atmospheric Concentrations of Molecular Clusters from ab initio Thermochemistry

Published on: April 8, 2020

8.2K
Measurement of Ultrafast Vibrational Coherences in Polyatomic Radical Cations with Strong-Field Adiabatic Ionization
08:22

Measurement of Ultrafast Vibrational Coherences in Polyatomic Radical Cations with Strong-Field Adiabatic Ionization

Published on: August 6, 2018

6.9K

相关实验视频

Last Updated: Jun 26, 2025

Excitonic Hamiltonians for Calculating Optical Absorption Spectra and Optoelectronic Properties of Molecular Aggregates and Solids
08:04

Excitonic Hamiltonians for Calculating Optical Absorption Spectra and Optoelectronic Properties of Molecular Aggregates and Solids

Published on: May 27, 2020

8.4K
Computation of Atmospheric Concentrations of Molecular Clusters from ab initio Thermochemistry
12:11

Computation of Atmospheric Concentrations of Molecular Clusters from ab initio Thermochemistry

Published on: April 8, 2020

8.2K
Measurement of Ultrafast Vibrational Coherences in Polyatomic Radical Cations with Strong-Field Adiabatic Ionization
08:22

Measurement of Ultrafast Vibrational Coherences in Polyatomic Radical Cations with Strong-Field Adiabatic Ionization

Published on: August 6, 2018

6.9K

科学领域:

  • 计算化学计算化学
  • 量子化学 是一个量子化学.
  • 分子建模分子建模

背景情况:

  • 该APOST-3D软件已经开发了20多年.
  • 它旨在弥合经典化学概念和分子电子结构之间的差距.
  • 它依赖于原子在分子 (AIM) 方法.

研究的目的:

  • 提供APOST-3D软件的结构和功能概述.
  • 为了突出其先进的波函数分析工具.
  • 为计算和实验研究人员展示其实用性.

主要方法:

  • 实施各种分子中的原子 (AIM) 定义,包括希尔伯特空间和实空间 (模糊原子) 方法.
  • 全球量分解为一个和两个中心的数量,有碎片贡献.
  • 策略,以最大限度地减少数值错误和增强任务并行实时空间AIM方法.
  • 包括人口分析,氧化状态分配方案,分子能量分解和局部自旋分析.

主要成果:

  • APOST-3D提供了一个全面的工具套件,用于详细的分子分析.
  • 该软件包含了先进的数字策略,以提高效率和准确性.
  • 它提供了复杂的理论概念的用户友好的实现.

结论:

  • APOST-3D是一个有价值的开源资源,用于计算化学家和实验家.
  • 它有助于解释电子结构和分子性质.
  • 该软件增强了理论预测和实验观测之间的联系.