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Search results for Computational

180 Open Access Articles
Journal of Theoretical and Computational Science
Spectroscopic Investigation of the Stimulus of NLO Property on Acetone Thiosemicarbazone Using Computational [HF and DFT] Confinement
Research Article  J Theor Comput Sci 2015, 2:137
doi: 10.4172/2376-130X.1000137
Moorthy N, Jobe Prabakar PC, Ramalingam S, Periandy S and Pandian GV
Acetone thiosemicarbazone, NLO activity, VCD, Isotropic, NBO perturbation
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Journal of Theoretical and Computational Science
Vibrational Analysis and NLO Impact of Coordinate Covalent Bond on Bis (Thiourea) Cadmium Bromide: A Comparative Computational Study
Research Article  J Theor Comput Sci 2015, 2:133
doi: 10.4172/2376-130X.1000133
Anand S, Durga R, Sundararajan RS, Ramachandraraja C and Ramalingam S
Bis(thiourea) cadmium bromide, BTCB, NLO, Polarizability, Diagonal hyperpolarizability, NIST, TGA-DSC
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Research & Reviews: Journal of Chemistry
A Detailed Theoretical UV Study of Some Azo-Acrylate Compounds:Density Functional Study
Review Article  Journal of Chemistry
Cavus MS, Gur M, Vurdu CD, Kocaokutgen H, Sayiner G and Kandemirli F
Solvent effects, Computational chemistry, DFT, Electronic states, TDDFT
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Drug Designing: Open Access
Application of Computational Drug Discovery Techniques for Designing New Drugs against Zika Virus
Editorial  Drug Des 2016, 5: 2
doi: 10.4172/2169-0138.1000e131
José P Cerón-Carrasco, Teresa Coronado-Parra, Baldomero Imbernón-Tudela1, Antonio J Banegas-Luna, Fahimeh Ghasemi, Josefina M Vegara- Meseguer, Irene Luque, Syed Sikander Azam, Steinar Trædal-Henden and Horacio Pérez-Sánchez
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Journal of Health & Medical Informatics
Computational Comparative Homology Based 3D-structure Modelling of the HSp70 Protein from GWD
Research Article  J Health Med Inform
doi: 10.4172/2157-7420.1000233
Mishra S and Gomase VS
HSP70; Homology modelling; Protein structure;Molecular modelling
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Mycobacterial Diseases
Computational Approach in Understanding Mechanism of Action of Isoniazid and Drug Resistance
Commentary  Mycobact Dis 2016, 6: 202
doi: 10.4172/2161-1068.1000202
Jena L, Wankhade G, Waghmare P, Harinath BC
Mortality rate, Drug resistance, Bioinformatics, Computational approach
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Journal of Clinical & Experimental Pharmacology
Computational Investigation of Time Dependent Changes in the Formation of 7-Hydroxymethotrexate from Methotrexate in Patients Undergoing Treatment for Psoriasis with Methotrexate
Research Article  Clin Exp Pharmacol 2016, 6: 205
doi: 10.4172/2161-1459.1000205
Durisova M
Methotrexate; Oral administration; Mathematical model
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Journal of Defense Management
Genetic Fuzzy based Artificial Intelligence for Unmanned Combat Aerial Vehicle Control in Simulated Air Combat Missions
Research Article  J Def Manag 2016, 6:144
doi: 10.4172/2167-0374.1000144
Nicholas Ernest, David Carroll, Corey Schumacher, Matthew Clark, Kelly Cohen and Gene Lee
Genetic Fuzzy Systems, Artificial Intelligence, Unmanned Combat Aerial Vehicles, Verification & Validation, Computational Efficiency
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Journal of Chemical Engineering & Process Technology
Computational Quantum Chemistry of Chemical Kinetic Modeling
Review Article  J Chem Eng Process Technol 2016, 7:286
doi: 10.4172/2157-7048.1000286
Ivan A Gargurevich
Quantum chemistry; Chemistry; Chemical kinetics; Modelling
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Advances in Automobile Engineering
Simulations of Aerodynamic Behaviour of a Super Utility Vehicle Using Computational Fluid Dynamics
Research Article  Adv Automob Eng 2016, 5: 134
doi: 10.4172/2167-7670.1000134
Ahmed Al-Saadi, Ali Hassanpour and Tariq Mahmud
Aerodynamics, Turbulence, Computational methods
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Journal of Theoretical and Computational Science
Physico-Chemical Characterization, Opto Electronic Investigation and Vibrational Analysis on Coordinate Covalent Complex; Bis (Thiourea) Nickel Bromide (BTNB) Using Experimental and Computational Tools
Research Article  J Theor Comput Sci 2016, 3:141
doi: 10.4172/2376-130X.1000141
Anand S, Sundararajan RS, Ramachandraraja C, Ramalingam S and Durga R
SHG; Micro hardness test; Vibrational investigation; NBO; BTNB
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Research & Reviews: Journal of Pure and Applied Physics
The ‘Computational Unified Field Theory’: A Paradigmatic Shift in Physics
Research Article  Pure and Applied Physics
Jehonathan Bentwich
Paradigmatic Shift, dark-matter, dark-energy, superfluous, spatial-pixels
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