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International Journal of Chemoinformatics and Chemical Engineering (IJCCE)

2011 - 2016

Current editor(s): A.K. Haghi

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Volume 5, issue 2, 2016

Controlling Electrospinning Jet Using Microscopic Model for Ideal Tissue Engineering Scaffolds pp. 1-16 Downloads
Shima Maghsoodlou and Sulmaz Poreskandar
Numerical Simulation of Single Droplet Hydrodynamics Affected by Electrostatic Forces with the Aid of CFD: CFD Simulation of Single Droplet Hydrodynamics pp. 17-34 Downloads
Mohammad Ali Salehi and Babak Namazi
The Impact of Electrostatic Forces on the Dynamic and Heat Transfer Coefficient of Single Bubble Rising: Electrostatic Forces Effect on the Dynamic of Single Bubble Rising by CFD pp. 35-46 Downloads
Mohammad Ali Salehi and Samaneh Poursaman
The Structure, Topological, and Functional Dimension of Biomolecules pp. 47-60 Downloads
Gennadiy Vladimirovich Zhizhin

Volume 5, issue 1, 2016

Modeling, Simulation, and Thermally Optimization of Thermally-Coupled Distillation Columns pp. 1-11 Downloads
Fatemeh Safari and Arjomand Mehrabani-Zeinabad
An Investigation onto the Importance of Dimensionless Analysis in the Modeling of Electrospinning pp. 12-23 Downloads
Shima Maghsoodlou and Sulmaz Poreskandar
Laminar Mixed Convection in Two Concentric Vertical Cylinders pp. 24-43 Downloads
Ahmed Hadjadj and Seghir Maamir
Capability of Bacterial Cellulose Membrane in Release of Doxycycline pp. 44-55 Downloads
Mohammad Ali Salehi, Masomeh Jahani Kadusarai and Mojtaba Akbari Dogolsar

Volume 4, issue 2, 2015

Modeling of Photo Catalytic Degradation of Chloramphenicol using Full Factorial Design pp. 1-12 Downloads
Mamta Dubey and Mumtaj Shah
A Novel Method for Evaluation of the Flow Field Effects on Mean Drop Size in a Multiphase CFB pp. 13-36 Downloads
Ali Akbar Jamali, Shahrokh Shahhosseini and Yaghoub Behjat
Theoretical Study of Lamivudine Derivatives Invoking DFT based Descriptors pp. 37-45 Downloads
Tanmoy Chakraborty and Seema Dhail
The Prediction of the Performance of an Oil Reservoir by Proxy Model: A Case Study pp. 46-58 Downloads
Allahyar Daghbandan and Seyed Mahdi Chalik

Volume 4, issue 1, 2015

Noise-Induced Stability Analysis of a Capillary Flow Microreactor with Mixing by Radial Diffusion of Laminar Flow Profiles pp. 1-15 Downloads
Pratap R. Patnaik
The Treatment of Cheese Whey Wastewater by Waste Activated Sludge and Optimization of Treatment Conditions with Response Surface Methodology pp. 16-25 Downloads
Gholam Khayati and Morteza Barati
Extension of Ugi's Scheme for Model-Driven Classification of Chemical Reactions pp. 26-51 Downloads
Shyantani Maiti, Sanjay Ram and Somnath Pal
Indications of Spontaneous Chaos in the Chemotaxis of E. coli under Noise-Induced Parametric Perturbations pp. 52-65 Downloads
Pratap R. Patnaik

Volume 3, issue 2, 2013

Molecular Classification of 5-Amino-2-Aroylquinolines and 4-Aroyl-6,7,8-Trimethoxyquinolines as Highly Potent Tubulin Polymerization Inhibitors pp. 1-26 Downloads
Francisco Torrens and Gloria Castellano
K-Shell X-Ray Fluorescence Studies of Some Elements in the Atomic Number Range 26 = Z = 70 pp. 27-44 Downloads
Punchithaya K. Sripathi and K M. Balakrishna
A Three-Pass Algorithm for Generation of BE-Matrices from IUPAC Names pp. 45-63 Downloads
Sourav Mandal and Somnath Pal
Application of Molecular Topology to the Prediction of the Reaction Yield and Anticancer Activity of Imidazole and Guanidine Derivatives pp. 64-74 Downloads
Miguel Espinosa López, Vincenzo La Franca Pitarresi, Salvador Sayas Valero, Jorge Gálvez and Ramón García-Domenech
(Liquid + Liquid) Equilibrium for Ternary System of (Water + Phenol + Cyclohexane) at T = 298.2 K pp. 75-84 Downloads
Hossein Ghanadzadeh, Milad Sangashekan and Shahin Asan
Liquid-Liquid Equilibrium of the Ternary System Water/Formic Acid/1-Pentanol at T= 308.2 K pp. 85-93 Downloads
Hossein Ghanadzadeh, Shahin Asan and Milad Sangashekan
Modeling and Optimization of Poly Electrolyte Dosage in Water Treatment Process by GMDH Type- NN and MOGA pp. 94-106 Downloads
M. Akbarizadeh, A. Daghbandan and M. Yaghoobi
Physical-Mechanical Model of Fibrous Polymerized Bar Deformation at the Neck Zone pp. 107-116 Downloads
Gabil G. Aliyev
Dynamics of Metal Distribution in Cultivated Soil and Vegetables in Vicinity to Industrial Deposition: An Inference to Chemical Contamination of Food Chain pp. 117-124 Downloads
Sumanta Nayek, Suprakash Roy, Suvanka Dutta, Rajnarayan Saha and Tanmoy Chakraborty
Restoration of Coherent Population Movement from Noise-Induced Chaos in the Chemotaxis of E. Coli: A Fractal Interpretation pp. 125-144 Downloads
Pratap R. Patnaik

Volume 3, issue 1, 2013

Influence of γ-Radiation on Optical and Electric Properties of 90Bi2Te3-10Bi2Se3 Doped Films of P-and N-Types Conductivity pp. 1-7 Downloads
Nadir Mamed og. Abdullayev, Faig Bakhman og. Naghiyev, Nasrulla Zeynal og Jalilov, Nazim Rza og Memmedov and Ilaha Telman q. Mamedova
Preparation of a Uranium Conversion Plant’s Nuclear Waste for Final Disposal by Means of Magnetically Assisted Chemical Separation pp. 8-18 Downloads
Ahad Ghaemi, Mehdi Maghsudi, Fatemeh Hanifpour and Mohammad Samadfam
Modeling of Inclusion by Genetic Algorithms: Application to the Beta-Cyclodextrin and Triphenylphosphine pp. 19-36 Downloads
Reda Mohamed Hamou, Abdelmalek Amine, Ali Rahmouni, Ahmed Chaouki Lokbani and Michel Simonet
Long Destruction of Structurally Damaged Composite Pipe pp. 37-47 Downloads
Akhundov Mohammed B. and Sadayev Azber Sh.
Some Recent Developments on the Synthesis, Chemical Reactivity, and Theoretical Studies of Tetroxanes pp. 48-73 Downloads
Nelly L. Jorge, Alfonso Hernández-Laguna and Eduardo A. Castro
Graphene-Based Sensors for Monitoring Strain: A First-Principles Density Functional Theory Analysis pp. 74-83 Downloads
M. Mirnezhad, R. Ansari, H. Rouhi and M. Faghihnasiri

Volume 2, issue 2, 2012

An Efficient Algorithm for Automating Classification of Chemical Reactions into Classes in Ugi’s Reaction Scheme pp. 1-14 Downloads
Sanjay Ram and Somnath Pal
Modelling Liquid Flow Through Carbon Nanotubes pp. 15-27 Downloads
Faig Bakhman Ogli Naghiyev
Interactions Between Weighting Scheme and Similarity Coefficient in Similarity-Based Virtual Screening pp. 28-41 Downloads
John D. Holliday, Peter Willett and Hua Xiang
Retrained Classification of Tyrosinase Inhibitors and “In Silico†Potency Estimation by Using Atom-Type Linear Indices: A Powerful Tool for Speed up the Discovery of Leads pp. 42-144 Downloads
Gerardo M. Casañola-Martín, Mahmud Tareq Hassan Khan, Huong Le-Thi-Thu, Yovani Marrero-Ponce, Ramón García-Domenech, Francisco Torrens and Antonio Rescigno

Volume 2, issue 1, 2012

Theoretical Studies on the Structure and Spectroscopic Properties of 2,4-D (2,4-Diclorofenoxiacetic Acid) pp. 1-11 Downloads
María G. Andino, Mariela I. Profeta, Jorge M. Romero, Nelly L. Jorge and Eduardo A. Castro
Experimental-Theoretical Method for Defining Physical-Mechanical Properties of Polymer Materials with Regard to Change of Their Physical-Chemical Properties pp. 12-24 Downloads
Gabil G. Aliyev
Two-D Analysis of the Thermo-Mechanical Properties of ZrO2-Based Composites pp. 25-38 Downloads
Sedigheh Salehi, Vasyl Ryukhtin, Petr Lukas, Omer Van der Biest and Jef Vleugels
Wavy Motion of Viscous Bubbly Liquid in Tubes of Orthotropic Material pp. 39-47 Downloads
Rafael Yusif Amenzadeh, Akperli Reyhan Sayyad and Faig Bakhman Ogli Naghiyev
Bundlet Model for Single-Wall Carbon Nanotubes, Nanocones and Nanohorns pp. 48-98 Downloads
Francisco Torrens and Gloria Castellano

Volume 1, issue 2, 2011

Characterization of Polycyclic Aromatic Hydrocarbon Profiles by Multivariate Statistical Analysis pp. 1-14 Downloads
D. J. Marino, E. A. Castro, L. Massolo, A. Mueller, O. Herbarth and A. E. Ronco
Using Chemical Structural Indicators for Periodic Classification of Local Anaesthetics pp. 15-35 Downloads
Francisco Torrens and Gloria Castellano
Exploring the Thermodynamic Aspects of Structure Formation During Wet-Spinning of Polyacrylonitrile Fibres pp. 36-52 Downloads
Shahram Arbab, A. Zeinolebadi and Parviz Noorpanah
Correlation of the Drug Activities of Some Anti-Tubercular Chalcone Derivatives in Terms of the Quantum Mechanical Reactivity Descriptors pp. 53-65 Downloads
Tanmoy Chakraborty and Dulal C. Ghosh
Hydrogen-Bonded Interactions in the Systems L-Cysteine - H2SeO3 and L-Cysteine -H2SeO4: A DFT Study pp. 66-76 Downloads
Alexei N. Pankratov, Nikolay A. Bychkov and Olga M. Tsivileva

Volume 1, issue 1, 2011

Application of Molecular Topology to the Prediction of Water Quality Indices of Alkylphenol Pollutants pp. 1-11 Downloads
Jorge Gálvez, Miriam Parreño, Jordi Pla, Jaime Sanchez, María Gálvez-Llompart, Sergio Navarro and Ramón García-Domenech
Graph-Theoretical Indices based on Simple, General and Complete Graphs pp. 12-28 Downloads
Lionello Pogliani
Modeling of Fluid Interaction Produced by Water Hammer pp. 29-41 Downloads
Kaveh Hariri Asli, Faig Bakhman Ogli Naghiyev, Soltan Ali Ogli Aliyev and Hoosein Hariri Asli
Logistic vs. W-Lambert Information in Quantum Modeling of Enzyme Kinetics pp. 42-60 Downloads
Mihai V. Putz and Ana-Maria Putz
Toxicity of Halogen, Sulfur and Chlorinated Aromatic Compounds: A Quantitative-Structure-Toxicity-Relationship (QSTR) pp. 61-74 Downloads
Ashutosh Kumar Gupta, Arindam Chakraborty, Santanab Giri, Venkatesan Subramanian and Pratim Chattaraj
A Hybrid Approach Based on Self-Organizing Neural Networks and the K-Nearest Neighbors Method to Study Molecular Similarity pp. 75-95 Downloads
Abdelmalek Amine, Zakaria Elberrichi, Michel Simonet and Ali Rahmouni
Solvent Effect of Oxygen in the Thermolisys Decomposition of the Acetone Diperoxide pp. 96-102 Downloads
M. I. Profeta, J. R. Romero, L. A. C. Leiva, N. L. Jorge, M. E. Gomez Vara and E. A. Castro
Page updated 2017-10-29