A QM/MM Study on the X-ray Spectra of Organic Proton Transfer Crystals of Isonicotinamides
Author:
Affiliation:
1. MIIT Key Laboratory of Semiconductor Microstructure and Quantum Sensing, Department of Applied Physics, School of Science, Nanjing University of Science and Technology, 210094 Nanjing, China
Funder
Government of Jiangsu Province
National Natural Science Foundation of China
Publisher
American Chemical Society (ACS)
Subject
Surfaces, Coatings and Films,Physical and Theoretical Chemistry,General Energy,Electronic, Optical and Magnetic Materials
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jpcc.2c05405
Reference82 articles.
1. Salt or Co-Crystal? Determination of Protonation State by X-Ray Photoelectron Spectroscopy (XPS)
2. Characterization of Proton Transfer in Co-Crystals by X-ray Photoelectron Spectroscopy (XPS)
3. Proton Transfer, Hydrogen Bonding, and Disorder: Nitrogen Near-Edge X-ray Absorption Fine Structure and X-ray Photoelectron Spectroscopy of Bipyridine–Acid Salts and Co-crystals
4. Identification of Protonation State by XPS, Solid-State NMR, and DFT: Characterization of the Nature of a New Theophylline Complex by Experimental and Computational Methods
5. Crystallography Aided by Atomic Core-Level Binding Energies: Proton Transfer versus Hydrogen Bonding in Organic Crystal Structures
Cited by 13 articles. 订阅此论文施引文献 订阅此论文施引文献,注册后可以免费订阅5篇论文的施引文献,订阅后可以查看论文全部施引文献
1. Global Impact and Balancing Act: Deciphering the Effect of Fluorination on B 1s Binding Energies in Fluorinated h-BN Nanosheets;Precision Chemistry;2024-05-07
2. Effects of structural variations to x-ray absorption spectra of g-C3N4: Insight from DFT and TDDFT simulations;Applied Physics Letters;2024-04-01
3. MCNOX: A code for computing and interpreting ultrafast nonlinear X-ray spectra of molecules at the multiconfigurational level;Computer Physics Communications;2024-03
4. Peak Broadening in Photoelectron Spectroscopy of Amorphous Polymers: The Leading Role of the Electrostatic Landscape;The Journal of Physical Chemistry Letters;2024-01-18
5. Structural identification of single boron-doped graphdiynes by computational XPS and NEXAFS spectroscopy;Physical Chemistry Chemical Physics;2024
1.学者识别学者识别
2.学术分析学术分析
3.人才评估人才评估
"同舟云学术"是以全球学者为主线,采集、加工和组织学术论文而形成的新型学术文献查询和分析系统,可以对全球学者进行文献检索和人才价值评估。用户可以通过关注某些学科领域的顶尖人物而持续追踪该领域的学科进展和研究前沿。经过近期的数据扩容,当前同舟云学术共收录了国内外主流学术期刊6万余种,收集的期刊论文及会议论文总量共计约1.5亿篇,并以每天添加12000余篇中外论文的速度递增。我们也可以为用户提供个性化、定制化的学者数据。欢迎来电咨询!咨询电话:010-8811{复制后删除}0370
www.globalauthorid.com
TOP
Copyright © 2019-2024 北京同舟云网络信息技术有限公司 京公网安备11010802033243号 京ICP备18003416号-3