Search Result "semi-empirical methods."
Prediction of Thermal Isomerization Temperatures of Substituted Benzocyclobutenes to o-Quinodimethanes by Semi-Empirical Molecular Orbital Calculation
Journal: Letters in Organic Chemistry
Volume: 8 Issue: 2 Year: 2011 Page: 138-142
Author(s): Keisuke Chino, Takeshi Endo
Molecular Docking and Semi-Empirical Quantum Studies on Cholesterol with Cyclodextrins
Journal: Current Nutrition & Food Science
Volume: 14 Issue: 3 Year: 2018 Page: 204-210
Author(s): Boubaker Hosouna,Ashraf A.A. Abdusalam,Hassan Y. Aboul-Enein,Hebatallah A. Wagdy
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
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
Activity Evaluation and Selection of Some Classes of Antibiotics with the use of Semi-Empirical Quantum Mechanics and Quantitative Structure- Activity Relationships Approach
Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 22 Issue: 2 Year: 2019 Page: 97-112
Author(s): Piotr Kawczak,Leszek Bober,Tomasz BÄ
czek
Applying Semi-Empirical Quantum Harmonic Calculations for Studying the Atomic Kinetic Energies in Hydrogen Bonded Systems
Journal: Current Physical Chemistry
Volume: 7 Issue: 1 Year: 2017 Page: 3-22
Author(s): Y. Finkelstein,R. Moreh
Drug Metabolism as an Object of Computational Analysis by the Monte Carlo Method
Journal: Current Drug Metabolism
Volume: 18 Issue: 12 Year: 2017 Page: 1123-1131
Author(s): Mariya A. Toropova
Enthalpies of Formation of Five-Membered Nitrogen-Containing Heterocycles in the Condensed State
Journal: Recent Innovations in Chemical Engineering
Volume: 10 Issue: 2 Year: 2017 Page: 106-118
Author(s): E.A. Zauer
Atom-based and Pharmacophore-based 3D – QSAR Studies on Vitamin D Receptor (VDR)
Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 21 Issue: 5 Year: 2018 Page: 329-343
Author(s): Selvaraman Nagamani,Chandrasekhar Kesavan,Karthikeyan Muthusamy
Use a Fluorescent Molecular Sensor for the Detection of Pesticides and Herbicides in Water
Journal: Current Analytical Chemistry
Volume: 5 Issue: 1 Year: 2009 Page: 48-52
Author(s): Francois Delattre, Francine Cazier, Fabrice Cazier, Alphonse Tine