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When proton-coupled carbon-13 spectra are simplified by a broadband proton decoupling technique, structural information about the coupled protons is lost. Distortionless enhancement by polarization transfer (DEPT) is a technique that provides information on the number of hydrogens attached to each carbon in a molecule. While the DEPT experiment utilizes complex pulse sequences, the pulse delay and flip angle are specifically manipulated. The resulting signals have different phases depending on...
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In a Diels–Alder reaction, the diene is usually an electron-rich system and acts as a nucleophile, whereas the dienophile is electron-deficient and functions as an electrophile. Much like the diene, the nature of the dienophile significantly impacts the outcome of the reaction. 
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UV–Visible absorption spectra of conjugated dienes arise from the lowest energy π → π* transitions. The light-absorbing part of the molecule is called the chromophore, and the substituents directly attached to the chromophore are called auxochromes. A strong correlation exists between the absorption maxima, λmax, and the structure of a conjugated π system. The Woodward–Fieser rules predict the value of λmax for a given...
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The Diels–Alder reaction brings together a diene and a dienophile to form a six-membered ring. Both components have unique characteristics that influence the rate of the reaction.
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Mass spectrometry is an analytical technique used to determine the molecular mass and molecular formula of a compound. The basic principle of mass spectrometry is to generate ions from the analyte molecule and measure these ion abundances against their molecular mass.  One common type of ionization, known as electrospray ionization or EI, bombards the analyte molecules in the gas phase with high-energy electron beams. The electron beams displace an electron from the molecule and leave...
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Updated: Jun 23, 2025

BioMEMS: Forging New Collaborations Between Biologists and Engineers
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Perdew Festschrift editorial.

Kieron Burke1,2, Jianwei Sun3, Weitao Yang4

  • 1Department of Chemistry, University of California, Irvine, California 92697, USA.

The Journal of Chemical Physics
|June 24, 2024
PubMed
Summary
This summary is machine-generated.

This special issue honors John P. Perdew, a pioneer in density functional theory. It highlights his key publications and features contributions from collaborators, showcasing advancements in the field.

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Area of Science:

  • Condensed matter physics
  • Quantum chemistry
  • Materials science

Background:

  • John P. Perdew's significant contributions to density functional theory (DFT) are widely recognized.
  • DFT is a fundamental quantum mechanical method for understanding the electronic structure of materials.

Purpose of the Study:

  • To commemorate the scientific legacy of John P. Perdew.
  • To provide an overview of Perdew's seminal works in DFT.
  • To guide readers through the research presented in this special issue.

Main Methods:

  • Review of key publications by John P. Perdew and collaborators.
  • Compilation of research articles contributed to this special issue.

Main Results:

  • Summary of Perdew's impactful research in DFT.
  • A curated collection of new studies building upon Perdew's foundational work.

Conclusions:

  • The special issue celebrates Perdew's lasting influence on theoretical chemistry and physics.
  • The contributed papers demonstrate the continued relevance and evolution of DFT.