Search Result "PM3 calculations"
Reversible Friedel-Crafts Acylations of Phenanthrene: Rearrangements of Acetylphenanthrenes
Journal: Letters in Organic Chemistry
Volume: 4 Issue: 5 Year: 2007 Page: 314-318
Author(s): Liron Levy, Sergey Pogodin, Shmuel Cohen, Israel Agranat
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
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 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
Hexapeptide Functionality of Cellulose as NS3 Protease Inhibitors
Journal: Medicinal Chemistry
Volume: 8 Issue: 5 Year: 2012 Page: 826-830
Author(s): Medhat Ibrahim,Noha A. Saleh,Wael M. Elshemey,Anwar A. Elsayed
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
DNA Hybridization on Chitosan-Functionalized Silicon Substrate
Journal: Medicinal Chemistry
Volume: 12 Issue: 5 Year: 2016 Page: 464-471
Author(s): Amina Omar,El-Sayed M. El-Sayed,Mona S. Talaat,Medhat Ibrahim
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
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
Determination of Absolute Configuration of Natural Products: Theoretical Calculation of Electronic Circular Dichroism as a Tool
Journal: Current Organic Chemistry
Volume: 14 Issue: 1 Year: 2010 Page: 1678-1697
Author(s): Xing-Cong Li, Daneel Ferreira, Yuanqing Ding