Search Result "Quantum-chemical modelling"

Fluorescence of ZnTe Quantum Dots Prepared Through Chemical Route

Journal: Nanoscience & Nanotechnology-Asia
Volume: 4 Issue: 1 Year: 2014 Page: 45-48
Author(s): Lalit Baruah,Debesh K. Avasthi,Siddhartha S. Nath

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

Recent Trends in Carbohydrate Modeling

Journal: Mini-Reviews in Medicinal Chemistry
Volume: 3 Issue: 7 Year: 2003 Page: 713-717
Author(s): Jane Dannow Dyekjaer, Kjeld Rasmussen

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

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

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

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

Quantum Chemical Studies of the Ground States of the Metal Centres in Haem-Copper Oxidases

Journal: Current Inorganic Chemistry (Discontinued)
Volume: 2 Issue: 3 Year: 2012 Page: 316-324
Author(s): Mikael P. Johansson

Quantum Chemical Assessment of the Interaction of Potential Anticorrosion Additives with Steel Surface

Journal: Innovations in Corrosion and Materials Science (Discontinued)
Volume: 4 Issue: 2 Year: 2014 Page: 107-117
Author(s): Ime B. Obot

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