List of Articles transition state Open Access Article Abstract Page Full-Text 1 - Theoretical Study of Addition Reaction of Carbene and Zigzag Single-walled Carbon Nanotube Saeid Abedini Khoramie Shahram Moradi Somayeh Miryousefi Samira Eftekharjoo Open Access Article Abstract Page Full-Text 2 - Use of semi empirical method for determination of the activation energy of thermal decomposition of vinyl ethers Behnaz Shahrokh Garnik Sargsyan Open Access Article Abstract Page Full-Text 3 - ACTIVATION PARAMETERS AND RELATION OF ACTIVATION ENTROPY WITH SOLVENT POLARITY IN THERMAL REARRANGEMENT OF 7,7-DICHLORO-[a,c]- DIBENZO-[4,1,0]-BICYCLOHEPTANE Saeed Taghvaei-Ganjali Hassan Kabiri-Fard Open Access Article Abstract Page Full-Text 4 - Theoretical investigation of tautomerisation of 3-Amino-1H-1,2,4-Triazol-5(4H)-One by using quantum calculations by DFT method. بهزاد چهکندی Open Access Article Abstract Page Full-Text 5 - Investigation of C-O tautomerism in a derivative of Flucytosine: A DFT study بهزاد چهکندی Open Access Article Abstract Page Full-Text 6 - Theoretical investigation of Curtius rearrangement of oxalyl di azide molecule using quantum calculations in gas phase and solution Roghaye Taheryan بهزاد چهکندی Ehsan Zahedi