Search Result "LUMO"


Research Article

Electronic, Thermochemistry and Vibrational Properties for Single-walled Carbon Nanotubes

Journal: Nanoscience & Nanotechnology-Asia
Volume: 8 Issue: 2 Year: 2018 Page: 233-239
Author(s): Fouad N. Ajeel,Mohammed H. Mohammed,Alaa M. Khudhair

Review Article

Recent Progress in Pyridine Containing Heterocycles as High Performance Host Materials for Blue PHOLEDs

Journal: Mini-Reviews in Organic Chemistry
Volume: 15 Issue: 4 Year: 2018 Page: 261-273
Author(s): Aamer Saeed,Muhammad Faisal,Fayaz Ali Larik,Hesham R. El-Seedi,Pervaiz Ali Channar,Danish Shahzad

Research Article

Synthesis and DFT Study on Hantzsch Reaction to Produce Asymmetrical Compounds of 1,4-Dihydropyridine Derivatives for P-Glycoprotein Inhibition as Anticancer Agent

Journal: Recent Patents on Anti-Cancer Drug Discovery
Volume: 13 Issue: 2 Year: 2018 Page: 255-264
Author(s): Shirin Mollazadeh,Fatemeh Moosavi,Farzin Hadizadeh,Mahmoud Seifi,Javad Behravan,Maryam Iman

Research Article

Competitive Inhibition of Quercetin and Apigenin at the ATP Binding site of D-Alanine-D-Alanine Ligase of Helicobacter pylori – A Molecular Modeling Approach

Journal: Current Biotechnology
Volume: 7 Issue: 5 Year: 2018 Page: 340-348
Author(s): Salam Pradeep Singh,Chandrabose Selvaraj,Bolin Kumar Knowar,Sanjeev Kumar Singh,Chingakham Brajakishor Singh,Dinabandhu Sahoo

Research Article

Synthesis, Experimental and Computational Studies of N-(4-amino-6-oxo- 1,6-dihydropyrimidin-5-yl)benzamide

Journal: Letters in Organic Chemistry
Volume: 15 Issue: 6 Year: 2018 Page: 491-502
Author(s): Agnieszka A. Kaczor,Agata Bartyzel,Monika Pitucha,Tomasz M. Wrobel,Sylwia Wozniak,Dariusz Matosiuk

Research Article

Computational Investigations on Stability and Equilibrium Composition of (Z)-indol-3-ylidenemethanol: An Enol-tautomer of 1H-indole-3-carbaldehyde via DFT Approach

Journal: Current Physical Chemistry
Volume: 8 Issue: 3 Year: 2018 Page: 194-210
Author(s): Ibrahim Asiata Omotayo,Oyebamiji Abel Kolawole,Semire Banjo

Research Article

High Throughput Screening Based Highly Potent Sulfonylbenzamide Anti-diabetic Drug

Journal: Current Drug Therapy
Volume: 13 Issue: 2 Year: 2018 Page: 162-173
Author(s): Sayantan Pradhan,Chittaranjan Sinha

Research Article

The Quantum Chemical and QSAR Studies on Acinetobacter Baumannii Oxphos Inhibitors

Journal: Medicinal Chemistry
Volume: 14 Issue: 3 Year: 2018 Page: 253-268
Author(s): Hakan Sezgin Sayiner,Afaf A.S. Abdalrahm,Murat A. Basaran,Vasyl Kovalishyn,Fatma Kandemirli

Research Article

Design, Synthesis and Docking study of Novel Imidazolyl Pyrazolopyridine Derivatives as Antitumor Agents Targeting MCF7 Cell Line

Journal: Current Organic Synthesis
Volume: 15 Issue: 2 Year: 2018 Page: 275-285
Author(s): Mohamed A. El-Borai,Mohamed K. Awad,H.F. Rizk,Faten M. Atlam

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