Iranian Journal of Chemistry and Chemical Engineering (IJCCE) (IJCCE) - Articles List

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Iranian Journal of Chemistry and Chemical Engineering (IJCCE)
Journal Archive
Volume Volume 37 (2018)
Volume Volume 36 (2017)
Volume Volume 35 (2016)
Volume Volume 34 (2015)
Volume Volume 33 (2014)
Volume Volume 32 (2013)
Volume Volume 31 (2012)
Volume Volume 30 (2011)
Volume Volume 29 (2010)
Volume Volume 28 (2009)
Volume Volume 27 (2008)
Volume Volume 26 (2007)
Volume Volume 25 (2006)
Volume Volume 24 (2005)
Volume Volume 23 (2004)
Volume Volume 22 (2003)
Volume Volume 21 (2002)
Volume Volume 20 (2001)
Volume Volume 19 (2000)
Volume Volume 18 (1999)
Volume Volume 17 (1998)
Volume Volume 16 (1997)
Volume Volume 15 (1996)
Volume Volume 14 (1995)
Volume Volume 13 (1994)
Volume Volume 12 (1993)
Volume Volume 11 (1992)
Volume Volume 10 (1991)
Volume Volume 9 (1990)
Volume Volume 8 (1989)
Volume Volume 7 (1988)
Volume Volume 6 (1987)
Main Subjects = Computational Chemistry
Number of Articles: 23
1

Theoretical study of 1,4-dioxane in aqueous solution and its experimental interaction with nano CuSO4

Articles in Press, Accepted Manuscript , Available Online from 01 May 2018
Essam Arafa Hassan Gomaa; Shimaa A Abdel Halim; Lailla Ibrahim Ali
2

DOCKING AND BIOLOGICAL SCREENING OF BENZO[A]PHENOTHIAZINONES AS NOVEL INHIBITORS OF BACTERIAL PEPTIDOGLYCAN TRANSPEPTIDASE

Articles in Press, Accepted Manuscript , Available Online from 05 February 2019
Efeturi A. Onoabedje; Akachukwu Ibezim; Kovo Godfrey Akpomie
3

Biological, Electronic, NLO, NBO, TDDFT and Vibrational Analysis of 1-benzyl-4-formyl-1H-pyrrole-3-carboxamide

Articles in Press, Accepted Manuscript , Available Online from 26 November 2018
Anoop Kumar Pandey; Vijay Narayan Mishra; Vijay Singh
4

Modeling of Removal of Chromium (VI) from Aqueous Solutions Using Artificial Neural Network

Articles in Press, Accepted Manuscript , Available Online from 26 November 2018
Abdullah Tümer; Serpil Edebali; Şaban Gülcü
5

Protonation of Propene on Silica-Grafted Hydroxylated Molybdenum and Tungsten Oxide Metathesis Catalysts: A DFT Study

Articles in Press, Accepted Manuscript , Available Online from 21 November 2018
Mohammad Ghashghaee; Mehdi Ghambarian
6

Synthesis, x-rays analysis, docking study and cholinesterase inhibition activity of 2,3-dihydroquinazolin-4(1H)-one derivatives

Articles in Press, Accepted Manuscript , Available Online from 15 September 2018
Muhammad Sarfraz; Umer Rashid; Nargis Sultana; Muhammad Ilyas Tariq
7

Study of Electronic Effects on Normal vs. Abnormal Tetrazol-5-ylidenes at DFT

Articles in Press, Accepted Manuscript , Available Online from 07 August 2018
Mohamadzaman Kassaee; Neda Khorshidvand
8

A theoretical approach to new triplet and quintet (nitrenoethynyl)alkylmethylenes, (nitrenoethynyl)alkylsilylenes, (nitrenoethynyl)alkylgermylenes

Articles in Press, Accepted Manuscript , Available Online from 06 August 2018
Somayeh Soleimani Amiri; Nasim Asadbeigi; Sahar Badragheh
9

Synthesis, characterization, and theoretical studies of the new antibacterial Zn(II) complexes from new fluorescent Schiff bases prepared by imidazo[4',5':3,4]benzo[1,2-c]isoxazole

Articles in Press, Accepted Manuscript , Available Online from 06 August 2018
Ahmad Nakhaei; Shirin Ramezani
10

Two and Three-Body Interactions between CO, H2O, and HClO4

Articles in Press, Accepted Manuscript , Available Online from 02 January 2018
Seyyedeh Marziyeh Hosseini; Abedien Zabardasti
11

Adsorption of Aniline Toxic Gas on a BeO Nanotube

Articles in Press, Accepted Manuscript , Available Online from 07 February 2018
Sahar Mohajeri; Mina Kamani; Maziar Noei; Maryam Ebrahimikia; Ali Akbar Salari; Nastaran Ahmadaghaei; Nazanin Molaei
12

Catalytic Oxidation of 4-Methylpyridine on Modified Vanadium Oxide Catalysts

Volume 37, Issue 3, May and June 2018, Page 81-89
Pavel Vorobyev; Tatyana Mikhailovskaya; Olga Yugay; Anna Serebryanskaya; Nikolay Chukhno; Aldan Imangazy
13

Computational Investigation of Structure and Reactivity of Methyl Hydrazinecarbodithioate

Volume 37, Issue 2, March and April 2018, Page 117-131
Bhuvanendra Singh; Rajeev Singh; Bhoop Singh; Dilip Kumar
14

DFT Study on the Possible Intramolecular Rearrangement of Four Monocyclic Monoterpenes

Volume 37, Issue 1, January and February 2018, Page 169-173
Li He; Wang Dong; Wang Chuanming
15

Adsorption of Phosphine on a BN Nanosurface

Volume 37, Issue 1, January and February 2018, Page 39-45
Sahar Mohajeri; Maziar Noei; Ali Akbar Salari; Zeynab Hoseini; Nastaran Ahmadaghaei; Nazanin Molaei
16

Modulating Band Gap and HOCO/LUCO Energy of Boron-Nitride Nanotubes under a Uniform External Electric Field

Volume 36, Issue 6, November and December 2017, Page 93-106
Jamshid Najafpour
17

Cyanogen, Methylacetylene, Hydroquinone, Ethylacetylene, Aniline, Pyrrole, and Ethanol Detection by Using BNNT: DFT Studies

Volume 36, Issue 5, Autumn 2017, Page 89-98
Sahar Mohajeri; Maziar Noei; Nazanin Molaei
18

Kinetic Study of Reaction between Allyl Compounds of Mg and Ethylene: Computational Investigation

Volume 36, Issue 2, May and June 2017, Page 7-15
Elahe Rajaeian; Avat (Arman) Taherpour
19

Statistical Evaluation of the Pertinent Parameters in Bio-synthesis of Ag/MWf-CNT Composites Using Plackett-Burman Design and Response Surface Methodology

Volume 35, Issue 2, March and April 2016, Page 51-62
Naser Yousefi; Mohammad Pazouki; Fereydoon Alikhani Hesari; Mehdi Alizadeh
20

Design of a New Nano Hinge Molecular Machine Based on Nitrogen Inversion: Computational Investigation

Volume 35, Issue 1, January and February 2016, Page 11-15
Sara Soleimani Gorgani; Marjaneh Samadizadeh
21

Molecular Dynamics Simulations of Freezing Behavior of Pure Water and 14% Water-NaCl Mixture Using the Coarse-Grained Model

Volume 35, Issue 1, January and February 2016, Page 1-10
Seyed Mahmood Fatemi; Masumeh Foroutan
22

Electronic Spectral Line Shape of a Diatomic Molecule

Volume 7, Issue 1, May and June 1988, Page 47-54
Reza Islampour; Ali Maghari
23

Iterative Force-Field Calculation and Molecular Dynamics of Cyclooctanone

Volume 7, Issue 1, May and June 1988, Page 33-46
Mehran Ghiaci