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相关概念视频

Correlations02:20

Correlations

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Correlation means that there is a relationship between two or more variables (such as ice cream consumption and crime), but this relationship does not necessarily imply cause and effect. When two variables are correlated, it simply means that as one variable changes, so does the other. We can measure correlation by calculating a statistic known as a correlation coefficient. A correlation coefficient is a number from -1 to +1 that indicates the strength and direction of the relationship between...
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Correlation01:09

Correlation

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In statistics, two variables are said to be correlated if the values of one variable are associated with the other variable. Depending on the relationship between two variables, correlation can be of three types– positive correlation, negative correlation, and zero correlation.
Two variables, for example, a and b, are said to be positively correlated if both variables move in the same direction. In other words, a positive correlation exists between two variables, a and b, if:
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Woodward–Hoffmann Selection Rules and Microscopic Reversibility01:34

Woodward–Hoffmann Selection Rules and Microscopic Reversibility

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Electrocyclic reactions, cycloadditions, and sigmatropic rearrangements are concerted pericyclic reactions that proceed via a cyclic transition state. These reactions are stereospecific and regioselective. The stereochemistry of the products depends on the symmetry characteristics of the interacting orbitals and the reaction conditions. Accordingly, pericyclic reactions are classified as either symmetry-allowed or symmetry-forbidden. Woodward and Hoffmann presented the selection criteria for...
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Rotter's Locus of Control01:14

Rotter's Locus of Control

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Julian Rotter introduced the concept of locus of control, a cognitive factor that significantly influences personality development and learning. Locus of control refers to an individual's beliefs about the extent of control they have over events in their lives. According to Rotter, this belief system can be categorized into two types: internal and external locus of control.
Individuals with an internal locus of control believe that their personal efforts and decisions directly affect their...
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Stereotype Content Model02:16

Stereotype Content Model

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The Stereotype Content Model (SCM) was first proposed by Susan Fiske and her colleagues (Fiske, Cuddy, Glick & Xu, 2002; see also Fiske, 2012 and Fiske, 2017). The SCM specifies that when someone encounters a new group, they will stereotype them based on two metrics: warmth—or that group’s perceived intent, and how likely they are to provide help or inflict harm—and competence—or their ability to carry out that objective. Depending on the warmth-competence...
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ortho–para-Directing Deactivators: Halogens01:24

ortho–para-Directing Deactivators: Halogens

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Halogens are ortho–para directors. They are more electronegative than carbon. Therefore, as ring substituents, they can withdraw electrons through the inductive effect and deactivate the aromatic ring towards electrophilic substitution. Halogens also have an electron-donating resonance effect on the ring, which influences the orientation of the incoming electrophile. If an electrophile attacks at the ortho or the para position, the halogen donates electrons and stabilizes the intermediate...
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反向的超级作用是逆向的.

W Ryan Osterloh1,2, Nicolas Desbois1, Jeanet Conradie3,4

  • 1ICMUB (UMR CNRS 6302), Université de Bourgogne, 9, Avenue A. Savary, BP 47870, 21078 Dijon Cedex, France.

Inorganic chemistry
|May 2, 2024
PubMed
概括
此摘要是机器生成的。

带有基基的 (III) 珊瑚基二离子表现出"反向超珊瑚基"行为,由于独特的电子转换,显示出强烈的近红外吸收. 这与典型的超氨酸形成了鲜明对比,突出了新的电荷转移特性.

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科学领域:

  • 无机化学 无机化学
  • 计算化学的计算化学
  • 材料科学 材料科学 材料科学

背景情况:

  • 在催化和光化学中,冠状蛋白复合物至关重要.
  • 了解酸中电荷转移是设计新材料的关键.
  • 基替代剂可以显著改变电子性质.

研究的目的:

  • 为了研究 meso-p-nitrophenyl-appended dicyanidocobalt的电子结构和光谱特性.
  • 确定这些复杂物是否表现出这些复杂物.
  • 这是一个反向的超级校对作用.
  • 它们的特征,特征.
  • 阐明取代剂在调节电子转换中的作用.

主要方法:

  • 使用CAMY-B3LYP函数的基态和时间依赖密度函数理论 (TDDFT) 计算.
  • 使用大型,全电子的STO-TZ2P基础集,以实现高精度.
  • 实验性紫外可见光谱学和电化学被用于验证.

主要成果:

  • 计算显示了5,15-bis (p-nitrophenyl) 衍生物中强烈的近红外 (NIR) 吸收.
  • TDDFT发现了一个关键的电子过渡,从HOMO到基于基的LUMO.
  • 发现基调节光谱和电化学性质.

结论:

  • 研究的 (III) 环表现出"反向超环"的特征.
  • 观察到的电子转换涉及向外的电荷转移,与典型的超氨酸不同.
  • 这些发现为设计基于氨酸的新型功能材料提供了洞察力.