List of Articles chemical shift

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  1 - Quantum Chemical Modeling of 1-(1, 3-Benzothiazol-2-yl)-3-(thiophene-5-carbonyl) thiourea: Molecular structure, NMR, FMO, MEP and NBO analysis based on DFT calculations
  Masoome Sheikhi Siyamak Shahab
• Open Access Article
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  2 - 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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  3 - 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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  4 - Thermodynamics, Solvents effects and 1H ,13C NMR Shielding :Theoretical studies of Adamantane
  Z. Bayat M. Monajjemi
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  5 - AB INITIO QUANTUM CHEMICAL STUDIES IN CTAB
  F. Naderi M. Monajjemi M. Yari K. Bakhshi
• Open Access Article
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  6 - Quantum Chemical Modeling of 2-(Cyclohexylamino)-2-oxo-1-(quinolin-4-yl)ethyl 4-Chlorobenzoate: Molecular Structure, Spectroscopic (FT-IR, NMR, UV) Investigations, FMO, MEP and NBO Analysis Based on HF and DFT Calculations
  Mehdi Nouri Angoran Ali Ramazani Masoome Sheikhi
• Open Access Article
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  7 - The investigation of interaction between Cyclophosphamide and single walled Carbon Nanotubes with DFT and NBO
  Zahra Felegari Majid Monajjemi