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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

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A Theoretical Investigation of ZnO Nanotubes: Size and Diameter

Journal: Current Physical Chemistry
Volume: 3 Issue: 4 Year: 2013 Page: 400-407
Author(s): Eduardo de Moraes,Ricardo Gargano,JosÃ© R. dos Santos Politi,Elton A. S. de Castro,JosÃ© Divino dos Santos,Elson Longo,C. A. Taft,JoÃ£o B. L. Martins

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Research Article

Silicon Prismanes: Calculation and Comparison of Heats of Formation

Journal: Recent Innovations in Chemical Engineering
Volume: 15 Issue: 4 Year: 2022 Page: 247-260
Author(s): Elena A. Zauer,Alexander B. Ershov

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Molecular Geometries, Hybridizations and Polarities

Ebook: Computer Based Projects for a Chemistry Curriculum
Volume: 1 Year: 2013
Author(s): Thomas J. Manning,Aurora P. Gramatges
Doi: 10.2174/9781608051939113010009

Biological Activity of Compounds Exhibiting Local Anesthetics's Properties Evaluated by QSAR Approach

Journal: Current Pharmaceutical Analysis
Volume: 10 Issue: 4 Year: 2014 Page: 255-262
Author(s): Piotr Kawczak,Leszek Bober,Tomasz Baczek

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Review Article

Quantum Mechanical (QM) Calculations Applied to ADMET Drug Prediction: A Review

Journal: Current Drug Metabolism
Volume: 18 Issue: 6 Year: 2017 Page: 511-526
Author(s): E. F. Silva-JÃºnior,T. M. Aquino,J. X. AraÃºjo-JÃºnior

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Prospects of Applying Enhanced Semi-Empirical QM Methods for 2101 Virtual Drug Design

Journal: Current Medicinal Chemistry
Volume: 23 Issue: 20 Year: 2016 Page: 2101-2111
Author(s): Nusret Duygu Yilmazer,Martin Korth

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Analysis of Peptides by Capillary Electromigration Methods

Ebook: Capillary Electrophoresis in Food Analysis
Volume: 2 Year: 2022
Author(s):
Doi: 10.2174/9789815036152122020007

Quantum Chemical Methods for Calculation of Non-Covalent Interactions in Biological Molecules

Journal: Current Physical Chemistry
Volume: 2 Issue: 4 Year: 2012 Page: 314-323
Author(s): Sarah Aldulaijan,James A. Platts

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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

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