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

Atomic Nuclei: Nuclear Spin State Population Distribution01:14

Atomic Nuclei: Nuclear Spin State Population Distribution

2.3K
Near absolute zero temperatures, in the presence of a magnetic field, the majority of nuclei prefer the lower energy spin-up state to the higher energy spin-down state. As temperatures increase, the energy from thermal collisions distributes the spins more equally between the two states. The Boltzmann distribution equation gives the ratio of the number of spins predicted in the spin −½ (N−) and spin +½ (N+) states.
2.3K
The Quantum-Mechanical Model of an Atom02:45

The Quantum-Mechanical Model of an Atom

56.4K
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.
56.4K
Atomic Nuclei: Nuclear Relaxation Processes01:23

Atomic Nuclei: Nuclear Relaxation Processes

1.2K
In the absence of an external magnetic field, nuclear spin states are degenerate and randomly oriented. When a magnetic field is applied, the spins begin to precess and orient themselves along (lower energy) or against (higher energy) the direction of the field. At equilibrium, a slight excess population of spins exists in the lower energy state. Because the direction of the magnetic field is fixed as the z-axis,  the precessing magnetic moments are randomly oriented around the z-axis.
1.2K
Atomic Nuclei: Nuclear Spin State Overview01:03

Atomic Nuclei: Nuclear Spin State Overview

1.9K
NMR-active nuclei have energy levels called 'spin states' that are associated with the orientations of their nuclear magnetic moments. In the absence of a magnetic field, the nuclear magnetic moments are randomly oriented, and the spin states are degenerate. When an external magnetic field is applied, the spin states have only 2 + 1 orientations available to them. A proton with = ½ has two available orientations. Similarly, for a quadrupolar nucleus with a nuclear spin value of one, the...
1.9K
Nuclear Overhauser Enhancement (NOE)01:06

Nuclear Overhauser Enhancement (NOE)

1.3K
Irradiation of a spin-active nucleus causes an increase or decrease in the signal intensity of neighboring nuclei that are not necessarily chemically bonded or involved in J-coupling. This phenomenon, called the nuclear Overhauser enhancement (NOE), results from through-space interactions between the nuclear spins. The NOE effect decreases with increasing internuclear distance and is generally not observed beyond 4 angstroms. In NOE, dipole-dipole interactions between neighboring spin-active...
1.3K
Directionality of Nuclear Transport01:42

Directionality of Nuclear Transport

4.5K
Ras-related nuclear protein or Ran is a small G protein that cycles between its GTP and GDP bound states. Ran specific regulators, a Ran GTPase Activating Protein or RanGAP present in the cytosol and a Ran guanine nucleotide exchange factor or RanGEF present inside the nucleus regulate GTP/GDP exchange. A high concentration of GTP inside the cells, in addition to this asymmetric distribution of  Ran-specific regulators, leads to a higher RanGTP concentration inside the nucleus. This...
4.5K

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

Quantumness of classical-trajectory-based methods for vibrational spectroscopy.

The Journal of chemical physics·2025
Same author

Probing nuclear quantum effects in HCl clusters with high accuracy machine learning potentials.

The Journal of chemical physics·2025
Same author

Spin-Density Functional Regularization for Singlet Diradicals.

Journal of chemical theory and computation·2025
Same author

Deciphering the Photochemistry of Thionylimide (HNSO): Isomers and Tunneling-Controlled Reactions.

Journal of the American Chemical Society·2025
Same author

"Quantum Tango" and Inverse Isotope Effect in Furan-Water Complex Unraveled by Microwave Spectroscopy and Instanton Theory.

The journal of physical chemistry letters·2025
Same author

Nuclear quantum effects in two-hydrogen intermediates on graphene-embedded transition metal atoms.

Physical chemistry chemical physics : PCCP·2025
Same journal

Anharmonic phonons via quantum thermal bath simulations.

The Journal of chemical physics·2026
Same journal

Quantum simulation of alignment dependent differential cross sections in co-propagating molecular beams at cold collision energies.

The Journal of chemical physics·2026
Same journal

Non-additive ion effects on the coil-globule equilibrium of a generic polymer in aqueous salt solutions.

The Journal of chemical physics·2026
Same journal

Insights into the unexpected small reduction of the temperature of maximum density of water by lithium chloride addition.

The Journal of chemical physics·2026
Same journal

Optical frequency comb double-resonance spectroscopy of the 9030-9175 cm-1 states of ethylene.

The Journal of chemical physics·2026
Same journal

Time reversal breaking of colloidal particles in cells.

The Journal of chemical physics·2026
查看所有相关文章

相关实验视频

Updated: Jan 9, 2026

Scalable Quantum Integrated Circuits on Superconducting Two-Dimensional Electron Gas Platform
05:39

Scalable Quantum Integrated Circuits on Superconducting Two-Dimensional Electron Gas Platform

Published on: August 2, 2019

10.2K

通过路径整体粗粒度的核量子效应的表面跳跃.

Jia-Xi Zeng1,2, Xin-Zheng Li2,3,4, Wei Fang1,5

  • 1Department of Chemistry, Fudan University, Shanghai 200438, People's Republic of China.

The Journal of chemical physics
|December 10, 2025
PubMed
概括
此摘要是机器生成的。

这项研究引入了一种新方法,结合了中心点分子动力学和最少开关表面跳跃,以准确地模拟化学反应中的核量子效应. 该方法有效地捕获了道和零点能量,这对于理解非adiabatic动态至关重要.

更多相关视频

Quantification of Hydrogen Concentrations in Surface and Interface Layers and Bulk Materials through Depth Profiling with Nuclear Reaction Analysis
14:11

Quantification of Hydrogen Concentrations in Surface and Interface Layers and Bulk Materials through Depth Profiling with Nuclear Reaction Analysis

Published on: March 29, 2016

27.5K
Isotopic Effect in Double Proton Transfer Process of Porphycene Investigated by Enhanced QM/MM Method
05:51

Isotopic Effect in Double Proton Transfer Process of Porphycene Investigated by Enhanced QM/MM Method

Published on: July 19, 2019

6.6K

相关实验视频

Last Updated: Jan 9, 2026

Scalable Quantum Integrated Circuits on Superconducting Two-Dimensional Electron Gas Platform
05:39

Scalable Quantum Integrated Circuits on Superconducting Two-Dimensional Electron Gas Platform

Published on: August 2, 2019

10.2K
Quantification of Hydrogen Concentrations in Surface and Interface Layers and Bulk Materials through Depth Profiling with Nuclear Reaction Analysis
14:11

Quantification of Hydrogen Concentrations in Surface and Interface Layers and Bulk Materials through Depth Profiling with Nuclear Reaction Analysis

Published on: March 29, 2016

27.5K
Isotopic Effect in Double Proton Transfer Process of Porphycene Investigated by Enhanced QM/MM Method
05:51

Isotopic Effect in Double Proton Transfer Process of Porphycene Investigated by Enhanced QM/MM Method

Published on: July 19, 2019

6.6K

科学领域:

  • 化学物理 化学物理
  • 量子动力学 量子动力学是什么?
  • 计算化学的计算化学

背景情况:

  • 核量子效应 (NQE),包括道和零点能量,对于准确描述非adiabatic分子动力学至关重要.
  • 现有的方法在结合这些效应时经常面临计算挑战.

研究的目的:

  • 开发一个计算高效和强大的方案,用NQEs建模非adiabatic动态.
  • 在表现量子现象的系统中准确预测反应速率和相关函数.

主要方法:

  • 提出了一种新的混合量子-经典方法,将中心点分子动力学与最少开关的表面跳跃 (FSSH) 结合起来,称为中心点-表面跳跃.
  • 路径积分粗粒处理用于减轻与路径积分模拟相关的计算成本.
  • 该方法是根据精确的量子力学计算在二态,一维模型系统上进行验证的.

主要成果:

  • 中心体-表面跳跃方法准确地预测了各种制度的反应速率和相关函数,包括深道.
  • 实现了与经典FSSH可比的计算效率.
  • 对于所有测试的参数集,证明了与精确的量子力学结果的定量一致性.

结论:

  • 开发的方法提供了一种高效和准确的手段,可以将NQEs纳入非adiabatic动态.
  • 这一进步有助于未来对复杂化学反应和涉及量子效应的过程进行建模.
  • 这种方法对计算化学和化学物理学的更广泛应用具有前景.