Improving Vibrational Mode Interpretation Using Bayesian Regression
Author:
Affiliation:
1. LAQV-REQUIMTE, Faculty of Sciences of the University of Porto, Rua do Campo Alegre, 4169-007 Porto, Portugal
Funder
European Regional Development Fund
Funda??o para a Ci?ncia e a Tecnologia
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry,Computer Science Applications
Link
http://pubs.acs.org/doi/pdf/10.1021/acs.jctc.8b00439
Reference70 articles.
1. First infrared investigations of OCS–H2O, OCS–(H2O)2, and (OCS)2–H2O complexes isolated in solid neon: Highlighting the presence of two isomers for OCS–H2O
2. Toward a Rigorous Definition of a Strength of Any Interaction Between Bader’s Atomic Basins
3. The vibrational spectroscopic studies and molecular property analysis of l-Phenylalanine using quantum chemical method
4. Fully anharmonic IR and Raman spectra of medium-size molecular systems: accuracy and interpretation
5. Computational Studies of Protonated β-d-Galactose and Its Hydrated Complex: Structures, Interactions, Proton Transfer Dynamics, and Spectroscopy
Cited by 55 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. Molecular spectroscopy, solvent effect, and DFT studies of azithromycin solvate;Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy;2025-01
2. Analysis of vibrational modes and weak interactions in terahertz spectra of γ-aminobutyric acid and its isomer L-2-aminobutyric acid;Journal of Molecular Structure;2024-12
3. Synthesis and characterization of new naphthalene diimides (NDIs) for application in electronic devices;Dyes and Pigments;2024-12
4. Crystallographic, intermolecular interactions, vibrational, and computational studies of a new cocrystal of decanoic acid and nicotinamide;Journal of Molecular Structure;2024-11
5. Comprehensive analysis of the electronic, thermodynamic, and spectroscopic properties of a Cu(II)-based complex with 1,10-phenanthroline and L-glutamine;Heliyon;2024-09
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