Coupled Cluster and Time-Dependent Density Functional Theory Description of Inner Shell Photoabsorption Cross Sections of Molecules
Author:
Affiliation:
1. UFRJ - Universidade Federal do Rio de Janeiro, Instituto de Química, Av. Athos da Silveira Ramos, 149, Rio de Janeiro 21941-909, Brasil
Funder
Conselho Nacional de Desenvolvimento Cient?fico e Tecnol?gico
Funda??o Carlos Chagas Filho de Amparo ? Pesquisa do Estado do Rio de Janeiro
Coordena??o de Aperfei?oamento de Pessoal de N?vel Superior
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry,Computer Science Applications
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.8b00375
Reference84 articles.
1. Near edge X-ray absorption mass spectrometry of gas phase proteins: the influence of protein size
2. Near-Edge X-ray Absorption Mass Spectrometry of a Gas-Phase Peptide
3. Experimental and theoretical XPS and NEXAFS studies of N-methylacetamide and N-methyltrifluoroacetamide
4. X-ray spectroscopy of blocked alanine in water solution from supermolecular and supermolecular-continuum solvation models: a first-principles study
5. Identification of the smallest peptide with a zwitterion as the global minimum: a first-principles study on arginine-containing peptides
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. Total absorption spectrum of benzene aggregates obtained from two different approaches;Journal of Molecular Modeling;2024-02-12
2. Fano–Feshbach formalism applied to the calculation of autoionization widths through analytic continuation;The Journal of Chemical Physics;2022-06-28
3. Inner-shell photoabsorption and photoionisation cross-sections of valence excited states from asymmetric-Lanczos equation-of-motion coupled cluster singles and doubles theory;Molecular Physics;2021-09-27
4. The nuts and bolts of core-hole constrained ab initio simulation for K-shell x-ray photoemission and absorption spectra;Journal of Physics: Condensed Matter;2021-02-26
5. Molecular Photoionization and Photodetachment Cross Sections Based on L$$^2$$ Basis Sets: Theory and Selected Examples;Advances in Methods and Applications of Quantum Systems in Chemistry, Physics, and Biology;2021
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