List of Articles Chemical shift

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  1 - Molecular structure, vibrational spectra, UV–vis, NBO, and NMR analyses on nevirapine using ab initio DFT methods
  Shanmugam Srinivasan Julie Charles Jayaprakash Ramesh Govindaswamy Ranganathan Ramkumaar Thirumazhisai Jambulingam Bhoopathy Sethu Gunasekaran
  10.1186/2251-7235-7-51
• Open Access Article
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  2 - 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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  3 - 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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  4 - 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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  5 - Thermodynamics, Solvents effects and 1H ,13C NMR Shielding :Theoretical studies of Adamantane
  Z. Bayat M. Monajjemi
• Open Access Article
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  6 - AB INITIO QUANTUM CHEMICAL STUDIES IN CTAB
  F. Naderi M. Monajjemi M. Yari K. Bakhshi
• Open Access Article
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  7 - 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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  8 - The investigation of interaction between Cyclophosphamide and single walled Carbon Nanotubes with DFT and NBO
  Zahra Felegari Majid Monajjemi
• Open Access Article
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  9 - Investigation of the IntraMolecular Hydrogen Bonding in Halo, Methoxy, and Cyano-Malonealdehyde Derivatives
  Hadi Zare yousefkhani mohammad vakili vahidreza darugar
• Open Access Article
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  10 - A review of 13C NMR spectra of drimane sesquiterpenes
  Sylvia Awino Opiyo
• Open Access Article
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  11 - Electronic Structure Investigation of Octahedral Complex and Nano ring by NBO Analysis: An EPR Study
  M. Khaleghian F. Azarakhshi G.R. Ghshami