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

Valence Bond Theory and Hybridized Orbitals02:38

Valence Bond Theory and Hybridized Orbitals

27.6K
According to valence bond theory, a covalent bond results when: (1) an orbital on one atom overlaps an orbital on a second atom, and (2) the single electrons in each orbital combine to form an electron pair. The strength of a covalent bond depends on the extent of overlap of the orbitals involved. Maximum overlap is possible when the orbitals overlap on a direct line between the two nuclei.
A σ bond (single bond in a Lewis structure) is a covalent bond in which the electron density is...
27.6K
Valence Bond Theory02:42

Valence Bond Theory

11.2K
Coordination compounds and complexes exhibit different colors, geometries, and magnetic behavior, depending on the metal atom/ion and ligands from which they are composed. In an attempt to explain the bonding and structure of coordination complexes, Linus Pauling proposed the valence bond theory, or VBT, using the concepts of hybridization and the overlapping of the atomic orbitals. According to VBT, the central metal atom or ion (Lewis acid) hybridizes to provide empty orbitals of suitable...
11.2K
Valence Bond Theory02:45

Valence Bond Theory

49.5K
Overview of Valence Bond Theory
49.5K
Predicting Molecular Geometry02:27

Predicting Molecular Geometry

44.9K
VSEPR Theory for Determination of Electron Pair Geometries
44.9K
VSEPR Theory and the Basic Shapes02:52

VSEPR Theory and the Basic Shapes

83.1K
Overview of VSEPR Theory
83.1K
Covalent Bonding and Lewis Structures02:46

Covalent Bonding and Lewis Structures

60.4K
Compared to ionic bonds, which results from the transfer of electrons between metallic and nonmetallic atoms, covalent bonds result from the mutual attraction of atoms for a “shared” pair of electrons.
60.4K

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

Asymmetric and Intermittent Supershear Rupture Mediated by Local Fault Complexity during the 2025 <i>M<sub>W</sub></i> 7.7 Myanmar Earthquake.

Proceedings of the National Academy of Sciences of the United States of America·2026
Same author

Unraveling the Electronic Origin of Selectivity in Ambimodal Transition States with Valence Bond Theory.

The journal of physical chemistry. A·2026
Same author

Okanin alleviates osteoarthritis by suppressing oxidative stress and pyroptosis via Nrf2/HO-1 activation.

European journal of pharmacology·2026
Same author

Corrigendum to "Liquiritigenin targets transferrin receptor to potentiate ferroptosis sensitivity in colorectal cancer cells" [Phytomedicine. 154 (2026) 158057].

Phytomedicine : international journal of phytotherapy and phytopharmacology·2026
Same author

CsWRKY33 Integrates Immune Signalling and Metabolic Reprogramming to Enhance Tea Plant Resistance Against Colletotrichum camelliae.

Plant, cell & environment·2026
Same author

Mapping the Energy Flow of Cooperativity: Real-Space Energy Decomposition Analysis of the Three-Body Effect.

The journal of physical chemistry. A·2026

相关实验视频

Updated: Jan 14, 2026

Author Spotlight: A Computational Approach to Decipher Amino Acid Preferences in Multispecific Protein-Protein Interactions
06:50

Author Spotlight: A Computational Approach to Decipher Amino Acid Preferences in Multispecific Protein-Protein Interactions

Published on: January 26, 2024

2.5K

一个基于深度学习的框架,用于选择价值债券结构和预测权重.

Tao Xia1, Tingzhen Chen1, Wei Wu1

  • 1State Key Laboratory of Physical Chemistry of Solid Surfaces, Fujian Provincial Key Laboratory of Theoretical and Computational Chemistry, and College of Chemistry and Chemical Engineering, Xiamen University, Xiamen, Fujian 361005, China.

Journal of chemical theory and computation
|October 20, 2025
PubMed
概括
此摘要是机器生成的。

深度学习增强了价值键 (VB) 理论,用于复杂的化学分析. DLVB可以有效地预测VB结构,为更大,更复杂的分子提供准确的结合分析.

更多相关视频

A Protocol for Computer-Based Protein Structure and Function Prediction
16:41

A Protocol for Computer-Based Protein Structure and Function Prediction

Published on: November 3, 2011

69.7K
Rapid in-silico Battery Electrolyte Electrochemical Reaction Generation using 3T-VASP Multi-Scale Energy Minimization
05:37

Rapid in-silico Battery Electrolyte Electrochemical Reaction Generation using 3T-VASP Multi-Scale Energy Minimization

Published on: August 22, 2025

607

相关实验视频

Last Updated: Jan 14, 2026

Author Spotlight: A Computational Approach to Decipher Amino Acid Preferences in Multispecific Protein-Protein Interactions
06:50

Author Spotlight: A Computational Approach to Decipher Amino Acid Preferences in Multispecific Protein-Protein Interactions

Published on: January 26, 2024

2.5K
A Protocol for Computer-Based Protein Structure and Function Prediction
16:41

A Protocol for Computer-Based Protein Structure and Function Prediction

Published on: November 3, 2011

69.7K
Rapid in-silico Battery Electrolyte Electrochemical Reaction Generation using 3T-VASP Multi-Scale Energy Minimization
05:37

Rapid in-silico Battery Electrolyte Electrochemical Reaction Generation using 3T-VASP Multi-Scale Energy Minimization

Published on: August 22, 2025

607

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.
  • 机器学习在化学中的应用

背景情况:

  • 价值键 (VB) 理论为结合和反应提供了化学直觉.
  • 高计算成本限制了VB理论对复杂系统的应用.

研究的目的:

  • 开发一个深度学习框架 (DLVB),以克服VB理论的计算限制.
  • 为了能够准确地预测VB结构重量和有效地识别关键配置.

主要方法:

  • 集成VB理论与图形变换器使用化学有意义的表示.
  • 开发基于深度学习的选择配置交互 (SCI) 方案.
  • 在没有*ab initio*计算的情况下预测VB结构重量.

主要成果:

  • DLVB准确地预测了VB的结构重量.
  • 基于DLVB的SCI方案有效地识别了关键的VB结构.
  • 该方法在准确性和可扩展性方面优于传统的选择方法.

结论:

  • DLVB为VB理论提供了一种计算效率高的方法.
  • 这一框架将VB理论的适用性扩展到更大的活性空间和复杂分子.
  • 为先进的结合分析提供了一条新的途径.