Search Result "Molecular orbital method"
From Conventional Prodrugs to Prodrugs Designed by Molecular Orbital Methods
Ebook: Frontiers in Computational Chemistry
Volume: 2 Year: 2015
Author(s): Rafik Karaman
Doi: 10.2174/9781608059782115020007
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
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
Computational Methods and Molecular Modelling for Some Predicted Tautomers of Pyrimidine Compounds
Journal: Current Chinese Chemistry
Volume: 1 Issue: 0 Year: 2021 Page: 1-20
Author(s): Mamdouh S. Masoud,Marwa Y. Abd El-Kaway
Localization and Localizability in Quantum Organic Chemistry: Localized Orbitals and Localization Functions
Journal: Current Organic Chemistry
Volume: 15 Issue: 2 Year: 2011 Page: 3555-3565
Author(s): Bernard Silvi, Peter Reinhardt
Intramolecular Electron Transfer: Computational Study Based on the Orbital Deletion Procedure (ODP)
Journal: Current Organic Chemistry
Volume: 10 Issue: 7 Year: 2006 Page: 779-790
Author(s): Yirong Mo
Oleuropein: Molecular Dynamics and Computation
Journal: Current Medicinal Chemistry
Volume: 24 Issue: 39 Year: 2017 Page: 4315-4328
Author(s): Luigi Gentile,Nicola A. Uccella,Ganapathy Sivakumar
Band Assignment in Hemoglobin Porphyrin Ring Spectrum: Using Four-Orbital Model of Gouterman
Journal: Protein & Peptide Letters
Volume: 17 Issue: 4 Year: 2010 Page: 473-479
Author(s): Mohammad Reza Dayer, Ali Akbar Moosavi-Movahedi, Mohammad Saaid Dayer
An Analytical Approach to Predict High-spin Stability of Conjugated Hydrocarbon Radical Polymers using Minimized Mixing Nonbonding Molecular Orbitals
Journal: Current Physical Chemistry
Volume: 3 Issue: 1 Year: 2013 Page: 99-112
Author(s): Xun Zhu,Yuriko Aoki
Transient Expression of Recombinant sPDGFRα-Fc in CHO DG44 Cells using 50-mL Orbitally Shaking Disposable Bioreactors
Journal: Protein & Peptide Letters
Volume: 17 Issue: 7 Year: 2010 Page: 919-924
Author(s): Yun-Xia Sang, Xiao-Wei Zhang, Xiao-Jia Chen, Kui Xie, Chui-Wen Qian, An Hong, Qiu-Ling Xie, Sheng Xiong