List of Articles NMR

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  1 - Theoretical investigation of the implicit effects water molecules and resonance interactions on structural stability and NMR tensors of hallucinogenic harmine by density functional calculations
  neda ahmadinejad arezoo tahan Mostafa Talebi Tari1
• Open Access Article
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  2 - Interaction of SO2 gas with the pristine and B&O atoms doped AlNNTs: A DFT study
  Mahdi Rezaei Sameti
• Open Access Article
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  3 - NMR and vibrational spectra of 2-methoxycarbonyl-7-methyl-1,3-thiazino[3,2- b][1,2,4]triazine-4,8-dione: a joint of experimental and DFT
  M. R. Zardoost N. Nami M. Azimi
• Open Access Article
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  4 - NMR and Solvent Effect Study on the Active Site of Oxidized Azurin
  K. Shahanipour T. Nejad Salari F. Mollaamin M. Monajjemi
• Open Access Article
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  5 - Investigation of NMR Shielding Tensors of Para-Sulfonato-calix 141 arene Complexation with some of Alkali metal atoms
  M. Sayadian L. Pishkar F. Mollaamin
• Open Access Article
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  6 - Ab initio and DFT studies on tautomerism of 5-methyl cytosine in gaseous phase
  K. Zare M. Monajjemi E. Zahedi H. Aghaie
• Open Access Article
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  7 - An ab initio quantum chemical investigation of TOMS nmr SHIELDING TENSORS IN Adenine-thymine, Adenine-uracil, Guanine-Cytosine & uracil-quartet: comparison between theoretical and experimental results
  H. Aghaie M. Monajjemi Gh. Ghassemi M. Kia
• Open Access Article
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  8 - Thermodynamic study of Ion pairing in Aqueous solution of 〖BaF〗_2 by (_^19)F-NMR
  H. Aghaie A. Aliabadi B. Sohrabi M. Aghaie M. R. Sohrabi
• Open Access Article
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  9 - NMR and NBO Calculation of Broccoli Calm: Nano Physical Parameter Study
  M. Monajjemi M. Ahmadianarog
• Open Access Article
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  10 - Ab Initio Quantum Chemical Studies of 15N and 13C NMR Shielding Tensors in Serine and Complexes of Serine- nH2O: Investigation on Strength of the CαH…O Hydrogen bonding in the Amino Acid Residue.
  M. Monajjemi T. Karimkeshteh F. Mollaamin
• Open Access Article
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  11 - Dielectric Constant and Solvent Effect Investigafion on Listeria monoeytogenes In1B-13- sheet Conformation: an Al. initio-NMR study
  E. Shirkhodaee Tari M. Monajjemi
• Open Access Article
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  12 - Investigation of Solvent Effect on CUA Codon Mutation: NMR Shielding Study
  S. Irani M. Monajjemi S.M Atyabi M. Sadegizadeh M. Heshmat T. Nejadsattari
• Open Access Article
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  13 - Efficient one-pot synthesis and characterization of 13-Acetyl-9-methyl-11-oxo-8-oxa-10,12-diazatricyclo [7.3.1.0^2,7] trideca-2,4,6-triene
  Hojatollah Salehi Mohammad Rabbani Qian-Rong Li Qing-xiang Guo
• Open Access Article
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  14 - Theoretical study of hydrogen bond effects on Diphenylphosphorylazide
  S. Reihani Z. Azizi M. Khaleghian H. Passdar L. Pishkar R. Ahmadi L. Saedi
• Open Access Article
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  15 - Drug Delivery study of Tamoxifea with Single Walled Carbon Nanotobes
  K. Shahanipour A.H. Esmailian F. Mollaamin B. Khalili Hadad
• Open Access Article
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  16 - A Theoretical Study on Dopamine: Geometry, energies and NMR
  Maryam Mehdizadeh Barforushi Karim Zare
• Open Access Article
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  17 - Modeling Investigation of Dielectric Constant Effect on NMR and IR Properties of C48 as a Single Walled Carbon Nanotube
  S. M. Sadat Choobeh F. Mollaamin
• Open Access Article
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  18 - An ab initio study of metalated CMP,UMP& dTMP at HF level:Bond energies and isotropic NMR shielding of atoms
  M.A Seyed Sajjadi R. Sayadi G. Ghasem KH. Kalateh
• Open Access Article
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  19 - Investigation of the Molecules Obtained from Marijuana: Computational Study of Spectral, Structural and Docking
  
• Open Access Article
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  20 - A theoretical study on methamphetamine: geometry, energies, NMR and NBO
  Jamileh Shakibayifar Karim Zare
• Open Access Article
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  21 - Determination Functional Theory Investigation of Polyphenolic Compounds Reactions: NMR study
  M. Monajjemi A. Eghdami
• Open Access Article
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  22 - Theoretical study of structure spectral properties of Tacrine as Alzheimer drug
  Leila Pishkar Parisa R. Jamaat Somayeh Makarem
• Open Access Article
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  23 - Theoretical study of solvent effect on NMR shielding for Pyrazole and Pyrazoline
  Farideh Keshavarz Rezaei
• Open Access Article
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  24 - A computational investigation on NMR Characterization and electronic properties of some zigzag nanotubes
  M. Anafcheh F. Naderi M. Ezatvar H. Masoomi
• Open Access Article
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  25 - Evaluation of Physical Properties of B16N16 and B16N16-X(X=Cu, Cu+, Cu++)
  M. SeyedHosseini M. Monajjemi K . Zare
• Open Access Article
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  26 - DFT Study and Comparison between B6C4Si and C16 Clusters as a Vitamin C Carrier
  T. Ardalan M. Monajjemi H. Aghaie P. Ardalan
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  27 - DFT Study of Phenanthrene adsorption on a BN Nano-Ring
  Mehrnoosh Khaleghian Fatemeh Azarakhshi Masoome Sheikhi
• Open Access Article
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  28 - The Effect of Aluminum, Gallium, Indium- Doping on the Zigzag (5, 0) Boron-Nitride Nanotubes: DFT, NMR, Vibrational, Thermodynamic Parameters and Electrostatic Potential Map with Electrophilicity Studies
  Reza Soleymani
• Open Access Article
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  29 - Investigation of nuclear magnetic resonance (NMR) and Binding Energies Clonidine Drug-Carbon Nano Tube: A Theoretical Study
  Z. Yousefian
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  30 - Theoretical study of
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  stacking interactions in substituted-coronene||cyclooctatetraene complexes: A system without direct electrostatic effects of substituents
  Pouya Karimi