Search Result "semiempirical"
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
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,José R. dos Santos Politi,Elton A. S. de Castro,José Divino dos Santos,Elson Longo,C. A. Taft,João B. L. Martins
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
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
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
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-Júnior,T. M. Aquino,J. X. Araújo-Júnior
Conformational Preference of Potassium Salts of N-Acylhydrazinecarbodithioates with Antifungal Activity. Combined Experimental and Theoretical Approach
Journal: Current Computer-Aided Drug Design
Volume: 10 Issue: 3 Year: 2014 Page: 205-216
Author(s): Agata Siwek,Tomasz Plech,Nazar Trotsko,Urszula Kosikowska,Anna Malm,Katarzyna Dzitko,Piotr Paneth
Fullerene Derivative as Anti-HIV Protease Inhibitor: Molecular Modeling and QSAR Approaches
Journal: Mini-Reviews in Medicinal Chemistry
Volume: 12 Issue: 6 Year: 2012 Page: 447-451
Author(s): M. Ibrahim,N. A. Saleh,W. M. Elshemey,A. A. Elsayed
Synthesis and In Vitro Antimicrobial Evaluation of 4-alkyl/aryl-1-(3-phenoxypropionyl)-thiosemicarbazides
Journal: Letters in Drug Design & Discovery
Volume: 7 Issue: 1 Year: 2010 Page: 737-742
Author(s): Monika Wujec, Agata Siwek, Edyta Kusmierz, Joanna Stefanska
Molecular Pockets, Umbrellas and Quasi Podands from Steroids: Synthesis, Structure and Applications
Journal: Mini-Reviews in Organic Chemistry
Volume: 12 Issue: 3 Year: 2015 Page: 258-270
Author(s): Tomasz Pospieszny