DFT study of α- and β-d-galactopyranose at the B3LYP/6-311++G** level of theory
Author:
Publisher
Elsevier BV
Subject
Organic Chemistry,Biochemistry,General Medicine,Analytical Chemistry
Reference37 articles.
1. OPLS all-atom force field for carbohydrates
2. Quantum mechanical and NMR spectroscopy studies on the conformations of the hydroxymethyl and methoxymethyl groups in aldohexosides
3. Alcohols, ethers, carbohydrates, and related compounds. IV. carbohydrates
4. An extension of the GROMOS force field for carbohydrates, resulting in improvement of the crystal structure determination of α-D-galactose
5. The effect of stereochemistry upon carbohydrate hydration. A molecular dynamics simulation of β-d-galactopyranose and (α,β)-d-talopyranose
Cited by 61 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 True Reverse Anomeric Effect Does Exist After All: A Hydrogen Bonding Stereocontrolling Effect in 2-Iminoaldoses;The Journal of Organic Chemistry;2024-05-16
2. Microscopic solvent-solute interactions, reactivity studies, structure properties and anti cancer activity of 1-(1-benzofuran-5-yl)-N-methylbutan-2-amine;Journal of Molecular Liquids;2024-05
3. A first-principles exploration of the conformational space of sodiated pyranose assisted by neural network potentials;Physical Chemistry Chemical Physics;2023
4. Exceptional design of super/hyperbases based on spiro‐alleneic structures in gas phase: A density functional theory study;Journal of Physical Organic Chemistry;2022-08-23
5. Evaluation of hydrogen bonds formation in the selected rare sugars based on 6-31G* and 6–311 + + G(d,p) basis sets;Journal of Molecular Modeling;2021-10-09
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