List of Articles NBO Open Access Article Abstract Page Full-Text 1 - Electronic Structure, Biological Activity, Natural Bonding Orbital (NBO) and Non-Linear Optical Properties (NLO) of Poly-Functions Thiazolo [3,2-a]Pyridine Derivatives. DFT Approach Shimaa Hussien hussien moustafa Open Access Article Abstract Page Full-Text 2 - Investigation of intramolecular hydrogen bond in Anthranilic acid derivatives Mansoureh Zahedi-Tabrizi Maryam Bargi Open Access Article Abstract Page Full-Text 3 - Study of molecular and electronic structure of a new proton transfer compound with 2,6–pydc and py–3–cm: Synthesis and DFT calculations محمد چهکندی Mahmood Ebrahimi Open Access Article Abstract Page Full-Text 4 - investigation of NMR and NQR tensors in the medicinal analogues of Methylphenidate Arezoo Tahan Mahya Khojandi