List of Articles LUMO

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  1 - The structural properties of boron and nitrogen adsorption on benzene molecule: a density functional study
  Samaneh S. Hoseini Edris Faizabadi
  10.1007/s40094-015-0167-7
• Open Access Article
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  2 - The Interaction between Dopamine and Carbon Nanotube: A DFT and NBO Approach
  M. Hesabi
• Open Access Article
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  3 - A Theoretical Study on Interaction between Nitrobenzene and Carbon Nanotube (A DFT approach)
  N. Malmir B. Naderi F. Naderi
• Open Access Article
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  4 - Theoretical Study of electronic Structure of [CoF6]3" Complex embedded in Nano-Ring
  Mehrnoosh Khaleghian Majid Monajjemi
• Open Access Article
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  5 - DFT Study and Comparison between B6C4Si and C16 Clusters as a Vitamin C Carrier
  T. Ardalan M. Monajjemi H. Aghaie P. Ardalan
• Open Access Article
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  6 - Theoretical study of 2,3,7,8-tetrachlorodibenzo-para-dioxine removal by boron nitride-nanotube (BNNT): QSAR, IR-DFT
  L. Mahdavian
• Open Access Article
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  7 - Synthesis, Identification and Calculation of Complex Crystallographic Structure of Cobalt (II) with theLigand Heterocyclic Derived from Pyridine
  Mohammad Mahdi Akbarzadeh Khirollah Mehrani Shahriar Ghammamy Vahideh Hadigheh Rezvan
• Open Access Article
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  8 - IR spectroscopic study and DFT calculations on dibenzyltin dichloride
  Leile Rahimi Ahar Moayad Hossaini Sadr Karim Zare Samad Motameni Tabatabei
• Open Access Article
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  9 - A Study on the Electronic and Structural Properties of C12X8 (X = C, B) and Their Interaction with Glycine with Potentially Drug Delivery Vessels
  F. Naderi H. Hajizadeh H. Masoomi A. R. Salehi
• Open Access Article
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  10 - The influence of Tyrozine on energetic property in Graphene Oxide: A DFT studies
  Roya Ahmadi Reza Soleymani
• Open Access Article
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  11 - Theoretical thermodynamic study of CO and O2 Adsorption on Au14 Nano Cluster
  Somayyeh Ghasemlou H. Aghaie
• Open Access Article
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  12 - Investigation of nuclear magnetic resonance (NMR) and Binding Energies Clonidine Drug-Carbon Nano Tube: A Theoretical Study
  Z. Yousefian
• Open Access Article
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  13 - FT-IR and NMR Spectroscopic Investigation and Hybrid Computational DFT/HF Analysis on the Molecular Structure of NSPD
  Mohammad Mahdi Akbarzadeh Khirollah Mehrani Shahriar Ghammamy Vahideh Hadigheh Rezvan
• Open Access Article
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  14 - Investigations on Optoelectronic Properties of New low Gap Compounds Based on Pyrrole as Solar Cells Materials
  O. Ninis S.M. Bouzzine H. Toufik F. Lamchouri M. Abarkan M. Hamidi M. Bouachrine
• Open Access Article
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  15 - Investigations of New Low Gap Conjugated Compounds Based on Thiophene-Phenylene as Solar Cells Materials
  Mansour Amine Amina Amine Mohammed Hamidi Si Mohammed Bouzzine Mohammed Bouachrine
• Open Access Article
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  16 - Theoretical study of HCX (NH2) (X= O, S, and Se) analogs in the gas phase: Electronic Structure, Natural Bond Orbital (NBO) & Natural Resonance Theory (NRT)
  golrokh Mahmoudzadeh ghazal kouchakzadeh
• Open Access Article
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  17 - Electronic Structure Investigation of Octahedral Complex and Nano ring by NBO Analysis: An EPR Study
  M. Khaleghian F. Azarakhshi G.R. Ghshami
• Open Access Article
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  18 - Density Functional Theory studies of purine bases adenine and guanine
  Leile Rahimi Ahar Zahra Javanshir
• Open Access Article
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  19 - Density Functional Theory studies of heterocyclic compounds furan and pyrrole
  Leili Rahimi Zahra Javanshir
• Open Access Article
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  20 - A comparative study of the skills of the diversification game with the competences of the managers
  mohammad hosein roozbeh Morteza Mousakhani Hamed Rahmani
• Open Access Article
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  21 - محاسبات نظریه تابع چگالی (DFT) و چگالی وابسته به زمان (TDDFT) برای اثر افزودن جانشینی فلوئور به رنگدانه‌های آلی در عملکرد سلول‌های خورشیدی
  سید وحید موسوی سید مجید هاشمیان زاده پروین صالحی
• Open Access Article
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  22 - Analysis of the Chemical Reactivity of Limonene by the Functional Density Theory Method Using Global Descriptors
  Hayat EL Ouafy Tarik EL Ouafy Mustapha Oubenali Aziz EL Haimouti Ahmed Gamouh Mohamed Mbarki
  10.22034/jchr.2021.1910282.1189
• Open Access Article
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  23 - Examining some mechanical and physical properties of gold
  Hassan Ghalami Bavil Olyaee Seyed Hamed  Ghasemi Karar Nadhom Yasein