Nuclear magnetic resonance spectroscopy, most commonly known as NMR spectroscopy or magnetic resonance spectroscopy (MRS), is a spectroscopic technique based on re-orientation of atomic nuclei with non-zero nuclear spins in an external magnetic field.

Nuclear magnetic resonance (NMR) is a physical phenomenon in which nuclei in a strong constant magnetic field are disturbed by a weak oscillating magnetic field (in the near field [1]) and respond by producing an electromagnetic signal

2023年2月27日 · NMR spectroscopy is a versatile analytical technique with a wide range of applications in chemistry, biochemistry, and materials science. The information provided by NMR spectroscopy, including chemical shift, peak integration, and spin-spin coupling, enables us to study the structure and behavior of molecules in great detail.

2023年1月26日 · In this comprehensive guide to understanding and interpreting NMR spectra, we will explore the fundamental concepts and principles of NMR spectroscopy, how NMR is used to elucidate the structure and properties of molecules, and the practical considerations and pitfalls of NMR experiments.

2023年1月30日 · Nuclear Magnetic Resonance (NMR) interpretation plays a pivotal role in molecular identifications. As interpreting NMR spectra, the structure of an unknown compound, as well as known structures, can be assigned by several factors such as chemical shift, spin multiplicity, coupling constants, and integration.

2025年2月13日 · # b3lyp/6-311g(d,p) scrf=solvent=DiMethylSulfoxide EPR-II NMR Output=Pickett （2）计算结果中又该如何分别查看每个原子核相对应的超精细耦合的常数值(Fermi项、偶极偶极项的常数值)？

2022年8月28日 · Nuclear magnetic resonance spectroscopy (NMR) is a widely used and powerful method that takes advantage of the magnetic properties of certain nuclei. The basic principle behind NMR is that some nuclei exist in specific nuclear spin states when exposed to …

ORCA can also be used to predict NMR spectra, both in the form of NMR shifts for any nucleus and J couplings for any pair of nuclei. Here we will discuss both cases, exemplifying with an organic acid and toluene.

2022年1月12日 · NMR spectroscopy is the use of the NMR phenomenon to study the physical, chemical, and biological properties of matter. It is an analytical chemistry technique used in quality control. It is used in research for determining the content and purity of a sample as well as its molecular structure.

Remote users can visualize and analyse NMR data without the need to install software. Fast online tuning and conversion, with immediate visual feedback, save a lot of time currently needed to switch between processing and visualization tools.