日期:
2020 年 — 2026 年
2020
2021
2022
2023
2024
2025
2026
影响因子:

DFT study of frontier orbitals and NLO properties of a phenanthroline and nitrophenol complex

利用密度泛函理论(DFT)研究菲咯啉和硝基苯酚复合物的前线轨道和非线性光学性质

Hadigheh Rezvan, Vahideh; Barani Pour, Samaneh; Dabbagh Hosseini Pour, Mitra; Jahanbin Sardroodi, Jaber

Detailed atomistic investigation of aggregation and interaction of teriparatide in aqueous media

对特立帕肽在水溶液中的聚集和相互作用进行详细的原子级研究

Dabbagh Hosseini Pour, Mitra; Jahanbin Sardroodi, Jaber; Hadidi, Naghmeh; Pazuki, Gholamreza

A DFT study of the effect of strain on the structural and electronic properties of perovskite APbBr(3) (A = K, Rb, and Cs)

利用密度泛函理论研究应变对钙钛矿APbBr(3) (A = K, Rb, 和 Cs) 结构和电子性质的影响

Pazuki, Mohammad Reza; Sardroodi, Jaber Jahanbin; Rastegar, Sima

Molecular dynamics and COSMO-RS model of menthol-fatty acid deep eutectic solvents: thermodynamic, structural, and dynamics insights

薄荷醇-脂肪酸低共熔溶剂的分子动力学和COSMO-RS模型:热力学、结构和动力学见解

Dabbagh Hosseini Pour, Mitra; Jahanbin Sardroodi, Jaber; Hadidi, Naghmeh; Pazuki, Gholamreza

Magnetic cobalt metal organic framework for photocatalytic water splitting hydrogen evolution

用于光催化水分解制氢的磁性钴金属有机框架

Razeghi, Mohammad Hossein; Gholipour, Ozra; Sardroodi, Jaber J; Keshipour, Sajjad; Hassanzadeh, Ali

Investigation the effect of water addition on intermolecular interactions of fatty acids-based deep eutectic solvents by molecular dynamics simulations

利用分子动力学模拟研究加水对脂肪酸基低共熔溶剂分子间相互作用的影响

Barani Pour, Samaneh; Jahanbin Sardroodi, Jaber; Rastkar Ebrahimzadeh, Alireza; Pazuki, Gholamreza

Pharmaceutical and non-pharmaceutical interventions for controlling the COVID-19 pandemic

控制新冠肺炎疫情的药物和非药物干预措施

Molla, Jeta; Farhang-Sardroodi, Suzan; Moyles, Iain R; Heffernan, Jane M

Electrochemical reduction of NO catalyzed by boron-doped C(60) fullerene: a first-principles study

硼掺杂C60富勒烯催化NO电化学还原:第一性原理研究

Saeidi, Nasibeh; Esrafili, Mehdi D; Jahanbin Sardroodi, Jaber

Long-term durability of immune responses to the BNT162b2 and mRNA-1273 vaccines based on dosage, age and sex

基于剂量、年龄和性别的BNT162b2和mRNA-1273疫苗免疫反应的长期持久性

Korosec, Chapin S; Farhang-Sardroodi, Suzan; Dick, David W; Gholami, Sameneh; Ghaemi, Mohammad Sajjad; Moyles, Iain R; Craig, Morgan; Ooi, Hsu Kiang; Heffernan, Jane M

Quantum DFT methods to explore the interaction of 1-Adamantylamine with pristine, and P, As, Al, and Ga doped BN nanotubes

利用量子密度泛函理论方法研究1-金刚烷胺与纯BN纳米管以及P、As、Al和Ga掺杂的BN纳米管的相互作用

Nemati-Kande, Ebrahim; Pourasadi, Amir; Aghababaei, Fatemeh; Baranipour, Samaneh; Mehdizadeh, Ata; Sardroodi, Jaber Jahanbin