Simulation of X-ray absorption spectra with orthogonality constrained density functional theory-Reference-Cited by-同舟云学术

登录注册会员服务联系我们

Simulation of X-ray absorption spectra with orthogonality constrained density functional theory

Published:2015 Issue:22 Volume:17 Page:14360-14374
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Derricotte Wallace D.¹²³⁴,Evangelista Francesco A.¹²³⁴

Affiliation:

1. Department of Chemistry and Cherry L. Emerson Center for Scientific Computation

2. Emory University

3. Atlanta

4. USA

Abstract

Orthogonality constrained density functional theory is used to predict the near-edge X-ray absorption spectrum of adenine and thymine.

Funder

National Institutes of Health

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2015/CP/C4CP05509H

Reference120 articles.

1. The Synchrotron—A Proposed High Energy Particle Accelerator

2. Refinement of DNA Structures through Near-Edge X-ray Absorption Fine Structure Analysis: Applications on Guanine and Cytosine Nucleobases, Nucleosides, and Nucleotides

3. Gas-Phase Experimental and Theoretical Near Edge X-ray Absorption Fine Structure Study of 2-Mercaptobenzothiazole

4. Near edge X-ray absorption fine structure spectroscopy as a tool to probe electronic and structural properties of thin organic films and liquids

5. Electronic structure of GaInN semiconductors investigated by x-ray absorption spectroscopy

Cited by 58 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. Benchmark Study of Core-Ionization Energies with the Generalized Active Space-Driven Similarity Renormalization Group;Journal of Chemical Theory and Computation;2024-09-13

2. Understanding the Empirical Shifts Required for Quantitative Computation of X-ray Spectroscopy;The Journal of Physical Chemistry C;2024-05-31

3. Excited-state downfolding using ground-state formalisms;Electronic Structure;2024-05-15

4. Simulating Electron Transfer Reactions in Solution: Radical-Polar Crossover;The Journal of Physical Chemistry B;2023-11-17

5. Core-Excited States and X-ray Absorption Spectra from Multireference Algebraic Diagrammatic Construction Theory;Journal of Chemical Theory and Computation;2023-07-07

同舟云学术

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