A DFT study of solvation effects and NBO analysis on the tautomerism of 1-substituted hydantoin
Author:
Publisher
Elsevier BV
Subject
General Chemical Engineering,General Chemistry
Reference21 articles.
1. Quantum Calculation of Molecular Energies and Energy Gradients in Solution by a Conductor Solvent Model
2. Geometry optimization of molecular structures in solution by the polarizable continuum model
3. Tautomeric Properties and Gas-Phase Structure of 3-Chloro-2,4-pentanedione
4. Vibrational spectra and theoretical studies of tautomerism and hydrogen bonding in the violuric acid and 6-amino-5-nitrosouracil system
5. A new integral equation formalism for the polarizable continuum model: Theoretical background and applications to isotropic and anisotropic dielectrics
Cited by 6 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. Experimental Spectroscopic, Quantum Chemical, Molecular Docking, and Molecular Dynamic Simulation Studies on Hydantoin (Monomer and Dimer);Polycyclic Aromatic Compounds;2022-09-25
2. Effect of water or ethanol on the tautomeric stability and proton transfer reaction of all possible tautomers of hydantoin: Implicit v/s explicit solvation;Journal of Molecular Liquids;2022-02
3. 2-Hydroxy-N-m-tolyl-acetamide: Optic spectroscopy, X-ray Crystallography and DFT study;MOROC J CHEM;2021
4. New nickel, palladium and platinum complexes of hydantoin derivative: Synthesis, characterization, theoretical study and biological activity;Polyhedron;2020-05
5. DFT study on the tautomerism of organic linker 1H-imidazole-4,5-tetrazole (HIT);Computational and Theoretical Chemistry;2015-09
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