Search Result "Quantum chemical methods"


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

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

Reliable but Timesaving: In Search of an Efficient Quantum-chemical Method for the Description of Functional Fullerenes

Journal: Current Topics in Medicinal Chemistry
Volume: 15 Issue: 18 Year: 2015 Page: 1845-1858
Author(s): H. Reis,B. Rasulev,M.G. Papadopoulos,J. Leszczynski

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

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 Mechanical Methods for Drug Design

Journal: Current Topics in Medicinal Chemistry
Volume: 10 Issue: 1 Year: 2010 Page: 33-45
Author(s): Ting Zhou, Danzhi Huang, Amedeo Caflisch

Quantum Dots-Based Nanostructures for Supercapacitors

Ebook: Multidimensional Nanomaterials for Supercapacitors: Next Generation Energy Storage
Volume: 1 Year: 2024
Author(s): Himadri Tanaya Das,T. Elango Balaji
Doi: 10.2174/9789815223408124010014

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