Search Result "empirical and semi-empirical calculations"
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
A Compact, Semi-empirical Model of Carbon Nanotube Field Effect Transistors Oriented to Simulation Software
Journal: Current Nanoscience
Volume: 7 Issue: 2 Year: 2011 Page: 245-253
Author(s): Roberto Marani, Anna Gina Perri
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
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
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
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
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
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