Search Result "Quantum chemical analysis"


Electronegativity and Chemical Hardness: Different Patterns in Quantum Chemistry

Journal: Current Physical Chemistry
Volume: 1 Issue: 2 Year: 2011 Page: 111-139
Author(s): Mihai V. Putz

Quantum Chemical Study of Fe Doped ZnO Nanoclusters

Journal: Micro and Nanosystems
Volume: 5 Issue: 1 Year: 2013 Page: 14-21
Author(s): Shamoon Ahmad Siddiqui,M.M. Abdullah

Research Article

Formation of a Toxic Quinoneimine Metabolite from Diclofenac: A Quantum Chemical Study

Journal: Drug Metabolism Letters
Volume: 13 Issue: 1 Year: 2019 Page: 64-76
Author(s): Muthusamy Ramesh,Prasad V. Bharatam

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

Conformational Analysis of Ac-NPGQ-NH2 and Ac-VPaH-NH2 by Vibrational Circular Dichroism Spectroscopy Combined with Molecular Dynamics and Quantum Chemical Calculations

Journal: Protein & Peptide Letters
Volume: 14 Issue: 4 Year: 2007 Page: 353-359
Author(s): Attila Borics, Richard F. Murphy, Sandor Lovas

Quantum Chemical Approaches: Semiempirical Molecular Orbital and Hybrid Quantum Mechanical/Molecular Mechanical Techniques

Journal: Current Pharmaceutical Design
Volume: 20 Issue: 20 Year: 2014 Page: 3293-3302
Author(s): Richard A. Bryce,Ian H. Hillier

Sensoring Strategies Using Quantum Dots: A Critical View

Journal: Current Organic Chemistry
Volume: 19 Issue: 12 Year: 2015 Page: 1134-1149
Author(s): Gema M. Duran,Ana M. Contento,Angel Rios

Size-Controlled Synthesis of CdS Quantum Dots in PVP Matrix

Journal: Micro and Nanosystems
Volume: 4 Issue: 1 Year: 2012 Page: 80-84
Author(s): L. Baruah, S. S. Nath

Development of Quantitative Structure-Activity Relationship for a Set of Carbonic Anhydrase Inhibitors: Use of Quantum and Chemical Descriptors

Journal: Letters in Drug Design & Discovery
Volume: 3 Issue: 9 Year: 2006 Page: 622-635
Author(s): Padmakar V. Khadikar, Omar Deeb, Amal Jaber, Jyoti Singh, Vijay K. Agrawal, Shalini Singh, Meenakshi Lakhwani

Review Article

A Review on Quantum Dots: Synthesis to In- silico Analysis as Next Generation Antibacterial Agents

Journal: Current Drug Targets
Volume: 20 Issue: 3 Year: 2019 Page: 255-262
Author(s): Sounik Manna,Munmun Ghosh,Ranadhir Chakraborty,Sudipto Ghosh,Santi M. Mandal

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