Mutual interplay between interactions of pi electrons with simultaneous σ-hole interactions: A computational Study
Pages 1-10
Mohammad Solimannejad, Alireza Gholipour
The DFT chemical investigations of optoelectronic and photovoltaic properties of short-chain conjugated molecules
Pages 11-20
Mohammed Bouachrine, Najat Belghiti, Mohammed Nassiri Bennani, Simohamed Bouzzine, Mohamed Hamidi
Crystal Chemistry of Immobilization of tetravalent Ce and Se in ceramic matrix of sodium zirconium phosphates
Pages 21-29
Ashish Bohre, Kalpana Avasthi, O.P. Shrivastava
Sulfur Dioxide Internal and External Adsorption on the Single-Walled Carbon Nanotubes: DFT Study
Pages 30-40
Mohsen Oftadeh, Marzieh Gholamian, Hassan Hadi Abdallah
Theoretical study of magnetic susceptibility and optical activity of small molecules containing one chiral center
Pages 41-52
Hassan Sabzyan, Fariba Taghavi
Reaction Dynamics of NH2+OH on an Interpolated Potential Energy Surface
Pages 53-67
S. Hosien mousavipour, Shapour Ramazani, Fatemeh Pirhadi
Conformational analysis of N- and C-terminally protected tripeptide model glycyl-isoleucine-glycyl: An ab initio and DFT study
Pages 68-75
Behzad Chahkandi, Mohammad Chahkandi, Bentolhoda Ashrafi
Ultrasonic-assisted Method for Preparation of Cu-doped ZnS Nanoparticles in Water as a Highly Efficient Visible Light Photocatalyst
Pages 76-89
Aziz Habibi-Yangjeh, Zahra Poormohammadi-Ahandani, Mahsa Pirhashemi
Thermodynamic properties of the ionized gas 3He
Pages 90-95
Gholam Hossein Bordbar, N. Mashayekhizadeh
Modeling of liquid–liquid equilibria of aqueous alcohol + salt systems using amodified NRTL
Pages 96-115
Mohammed T. Zafarani-Moattar, Parisa Jafari
Detecting pitting corrosion and its severity using wavelet entropy in electrochemical noise measurement
Pages 116-122
Mohamad Ghasem Mahjani, Reza Moshrefi, Majid Jafarian, Jaber Neshati
