Illustration of potential energy surface from DFT calculation along with fuzzy logic modelling for optimization of N-acetylglycine
Author:
Publisher
Elsevier BV
Subject
Physical and Theoretical Chemistry,Condensed Matter Physics,Biochemistry
Reference26 articles.
1. Density functional theory in the solid state;Hasnip;Philos. Trans. R. Soc. A,2014
2. Quantum Mechanical Calculations in Medicinal Chemistry: Relevant Method or a Quantum Leap Too Far?;Alex;Comprehen. Med. Chem. II,2007
3. Structural characteristics of formic acid dodecamers, (HCOOH)12;Blair;Chem. Phys. Lett.,2008
4. Toward improved density functionals for the correlation energy;Thakkar;J. Chem. Phys.,2009
5. Nonlocal Wigner-like correlation energy density functional: Parametrization and test on two-electron systems;Katriel;J. Chem. Phys.,2007
Cited by 12 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. The molecular structure, vibrational spectra, solvation effect, non-covalent interactions investigations of psilocin;Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy;2024-11
2. Theoretical and experimental study on (E)-N'-(2-hydroxy-5-(thiophen-3-yl)benzylidene)benzohydrazide compound: Its optimization with DFT and Fuzzy logic approach (FLA), structural and spectroscopic investigation, HOMO-LUMO, MEP, atomic charge, and NBO analysis;Journal of Molecular Structure;2024-11
3. Image Enhancement in Fundus Images using Modified Frangi Vesselness Filter in comparison with Hessian and Gaussian Filter;2024 2nd International Conference on Networking and Communications (ICNWC);2024-04-02
4. Chemical reactivity and regioselectivity investigation for the formation of 3,5-disubstituted isoxazole via cycloaddition [2 + 3] and antitrypanosomal activity prediction;Computational and Theoretical Chemistry;2024-03
5. Image Compression Using Hybrid Radon Transform with Discrete Wavelet Transform Technique;Lecture Notes in Networks and Systems;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