Search Result "quantum chemical studies."


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

Application of QSAR Analysis and Different Quantum Chemical Calculation Methods in Activity Evaluation of Selected Fluoroquinolones

Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 21 Issue: 7 Year: 2018 Page: 468-475
Author(s): Piotr Kawczak,Leszek Bober,Tomasz Bączek

Research Article

Structural, Morphological and Raman Studies of CdS/CdSe Sensitized TiO2 Nanocrystalline Thin Films for Quantum Dot Sensitized Solar Cell Applications

Journal: Current Nanoscience
Volume: 14 Issue: 5 Year: 2018 Page: 421-431
Author(s): Leda G. Bousiakou,Mile Ivanda,Lara Mikac,Dimitris Raptis,Marijan Gotic,Panagiotis Lianos,Kerstin Jurschat,Colin Johnston

Review Article

Role of Topological, Electronic, Geometrical, Constitutional and Quantum Chemical Based Descriptors in QSAR: mPGES-1 as a Case Study

Journal: Current Topics in Medicinal Chemistry
Volume: 18 Issue: 1 Year: 2018 Page: 1075-1090
Author(s): Ashish Gupta,Virender Kumar,Polamarasetty Aparoy

Research Article

Synthesis of New α-Amino Phosphonates Containing 3-Amino-4(3H) Quinazolinone Moiety as Anticancer and Antimicrobial Agents: DFT, NBO, and Vibrational Studies

Journal: Current Organic Synthesis
Volume: 15 Issue: 2 Year: 2018 Page: 286-296
Author(s): Mohamed K. Awad,Mahmoud F. Abdel-Aal,Faten M. Atlam,Hend A. Hekal

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

Mini-Review Article

Potential and Scope of Microwave Heating: A Case Study on the Synthesis of Phosphinates

Journal: Current Green Chemistry
Volume: 5 Issue: 1 Year: 2018 Page: 60-66
Author(s): Gyorgy Keglevich,Nora Zsuzsa Kiss

Review Article

Elucidation of the Chromatographic Enantiomer Elution Order Through Computational Studies

Journal: Mini-Reviews in Medicinal Chemistry
Volume: 18 Issue: 2 Year: 2018 Page: 88-97
Author(s): Roccaldo Sardella,Federica Ianni,Antonio Macchiarulo,Lucia Pucciarini,Andrea Carotti,Benedetto Natalini

The Application of Vibrational Spectroscopy in Studies of Structural Polymorphism of Drugs

Ebook: Recent Advances in Analytical Techniques

Volume: 2 Year: 2018
Author(s): Przemys?aw Zalewski,Gabriela Wiergowska,Joanna Goscianska,Kornelia Lewandowska,Judyta Cielecka-Piontek
Doi: 10.2174/9781681085746118020007

Study of Electron Spin Lifetime of Conducting Carbon Nanomaterials

Ebook: The Art and Science of Poisons

Volume: 1 Year: 2018
Author(s): Balint Nafradi,Mohammad Choucair,Laszlo Forro
Doi: 10.2174/97816810869341180101

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