Augmenting Basin-Hopping With Techniques From Unsupervised Machine Learning: Applications in Spectroscopy and Ion Mobility
Author:
Funder
Natural Sciences and Engineering Research Council of Canada
Publisher
Frontiers Media SA
Subject
General Chemistry
Reference103 articles.
1. Mid-IR spectroscopy of protonated leucine methyl ester performed with an FTICR or a Paul type ion-trap;Aleese;Int. J. Mass Spectrometry,2006
2. New scale factors for harmonic vibrational frequencies using the B3LYP density functional method with the triple-ζ basis set 6-311+G(d,p);Andersson;J. Phys. Chem. A,2005
3. Metal cation dependence of interactions with amino acids: Bond dissociation energies of Rb+ and Cs+ to the acidic amino acids and their amide derivatives;Armentrout;J. Phys. Chem. B,2014
4. Density-functional exchange-energy approximation with correct asymptotic-behavior;Becke;Phys. Rev. A,1988
5. Density-functional thermochemistry.3. the role of exact exchange;Becke;J. Chem. Phys.,1993
Cited by 20 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. A performance analysis of Basin hopping compared to established metaheuristics for global optimization;Journal of Global Optimization;2024-02-28
2. Automated Structural Activity Screening of β‐Diketonate Assemblies with High‐Throughput Ion Mobility‐Mass Spectrometry;Angewandte Chemie International Edition;2023-12-20
3. Automated Structural Activity Screening of β‐Diketonate Assemblies with High‐Throughput Ion Mobility‐Mass Spectrometry;Angewandte Chemie;2023-12-20
4. Nonadiabatic Dynamics Simulations for Photoinduced Processes in Molecules and Semiconductors: Methodologies and Applications;Journal of Chemical Theory and Computation;2023-11-20
5. Fast and effortless computation of profile likelihoods using CONNECT;Journal of Cosmology and Astroparticle Physics;2023-11-01
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