Density Functional Theory and Semi-empirical Investigations of Amino Tetrahydrofuran Molecules

Hussein Neama Najeeb

首页> 外文期刊>Physics and Materials Chemistry >Density Functional Theory and Semi-empirical Investigations of Amino Tetrahydrofuran Molecules

【24h】

Density Functional Theory and Semi-empirical Investigations of Amino Tetrahydrofuran Molecules

机译：氨基四氢呋喃分子的密度泛函理论和半实证研究

获取原文

掌桥外文数据库（机构版） >>

开具论文收录证明 >>

文献代查 >>

页面导航

摘要
著录项
相似文献
相关主题

摘要

This document gives formatting instructions for authors preparing papers for publication in the journal. Authors are encouraged to prepare manuscripts directly using this template. This template demonstrates format requirements for the Journal.

机译：本文档为作者准备要在期刊中发表的论文提供了格式说明。鼓励作者使用此模板直接准备手稿。该模板演示了日记的格式要求。

著录项

来源
《Physics and Materials Chemistry》 |2013年第2期|共6页
作者
Hussein Neama Najeeb;
展开▼
作者单位

展开▼
收录信息
原文格式 PDF
正文语种
中图分类物理学;
关键词

相似文献

外文文献
中文文献
专利

1. Theoretical investigations of the equol molecule: semi-empirical and density functional theory calculations [J] . Erkoc F, Yilmazer M, Erkoc S Journal of Molecular Structure. Theochem: Applications of Theoretical Chemistry to Organic, Inorganic and Biological Problems . 2005,第1a3期

机译：雌马酚分子的理论研究：半经验和密度泛函理论计算
2. Synthesis, structure, and spectroscopic properties of chiral oxorhenium(V) complexes incorporating polydentate ligands derived from L-amino acids: A density functional theory/time-dependent density functional theory investigation [J] . Basak S, Rajak KK Inorganic Chemistry: A Research Journal that Includes Bioinorganic, Catalytic, Organometallic, Solid-State, and Synthetic Chemistry and Reaction Dynamics . 2008,第19期

机译：包含衍生自L-氨基酸的多齿配体的手性氧or（V）配合物的合成，结构和光谱性质：密度泛函理论/时间依赖性密度泛函理论研究
3. MP2, density functional theory, and semi-empirical calculations of the interaction energies between a series of statin-drug-like molecules and the HMG-CoA reductase active site [J] . Utkov Hunter E., Price Allison M., Cafiero Mauricio Computational & theoretical chemistry . 2011,第1期

机译：MP2，密度泛函理论和一系列他汀类药物分子与HMG-CoA还原酶活性位点之间相互作用能的半经验计算
4. Investigation of the temperature dependence of THz spectra of amino acids based on THz spectroscopy and density functional theory [C] . Ling Jiang, Jiangping Yu, Chun Li, International Conference on Infrared, Millimeter, and Terahertz Waves . 2016

机译：基于太赫兹光谱和密度泛函理论研究氨基酸太赫兹光谱的温度依赖性
5. Density functional theory investigation into mechanisms of metal ion-promoted and base-promoted phosphorothioate cleavage reactions and Lanthanide ion catalysts for kinetic resolution of amino acid esters. [D] . Maxwell, Christopher Ian. 2012

机译：密度泛函理论研究金属离子促进和碱促进的硫代磷酸酯裂解反应机理以及镧系元素离子催化剂用于氨基酸酯的动力学拆分。
6. Assessment of Amyloid Forming Tendency of Peptide Sequences from Amyloid Beta and Tau Proteins Using Force-Field Semi-Empirical and Density Functional Theory Calculations [O] . Charuvaka Muvva, Natarajan Arul Murugan, Venkatesan Subramanian 2021

机译：使用力场半经验和密度泛函理论计算评估来自淀粉样蛋白β和TAU蛋白的肽序列的蛋白序列的淀粉样蛋白形成趋势
7. A density functional theory and quantum theory of atoms-in-molecules analysis of the stability of Ni(II) complexes of some amino alcohol ligands [O] . Varadwaj, Pradeep R., Perry, Christopher B., Marques, Helder M., 2011

机译：密度泛函理论和原子分子量子理论分析了一些氨基醇配体的Ni（II）配合物的稳定性

Density Functional Theory and Semi-empirical Investigations of Amino Tetrahydrofuran Molecules

摘要

著录项

相似文献

相关主题

期刊订阅