Search Result "molecular-orbital."
Perspectives on the Role of the Frontier Effective-for-Reaction Molecular Orbital (FERMO) in the Study of Chemical Reactivity: An Updated Review
Journal: Current Organic Chemistry
Volume: 24 Issue: 3 Year: 2020 Page: 314-331
Author(s): LetÃcia S. Braga,Daniel H. S. Leal,Kamil Kuca,Teodorico C. Ramalho
Frontier Molecular Orbital Approach to the Cycloaddition Reactions
Ebook: Frontiers in Computational Chemistry
Volume: 5 Year: 2020
Author(s): Anjandeep Kaur
Doi: 10.2174/9789811457791120050008
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
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
Molecular Mechanisms of Cellular Transport, Resistance and Cytotoxic Side Effects of Platinum and Adjuvant Anti-cancer Drugs â A Molecular Orbital Study
Ebook: Frontiers in Computational Chemistry
Volume: 3 Year: 2017
Author(s): Clifford W. Fong
Doi: 10.2174/9781681081670117030005
Novel Quantitative Structure-Activity Studies of HIV-1 Protease Inhibitors of the Cyclic Urea Type Using Descriptors Derived from Molecular Dynamics and Molecular Orbital Calculations
Journal: Current Computer-Aided Drug Design
Volume: 5 Issue: 1 Year: 2009 Page: 38-55
Author(s): Tatsusada Yoshida, Toshio Fujita, Hiroshi Chuman
Description of the Acid/Base Behavior of Organic Phosphines Using ab initio and Chemometric Approaches
Journal: Letters in Organic Chemistry
Volume: 7 Issue: 7 Year: 2010 Page: 552-556
Author(s): Regis T. Santiago, Felipe A. La Porta, Marcus V.J. Rocha, Teodorico C. Ramalho, Matheus P. Freitas, Elaine F.F. da Cunha
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
Investigation of the Correlation between Geometrical Relationship andthe Anomeric effect on Conformational Reactivities and Analyze the1, 4-elimination
Journal: Letters in Organic Chemistry
Volume: 20 Issue: 2 Year: 2023 Page: 97-107
Author(s):