Search Result "Molecular orbital theory"
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
Molecular Graph Theory: From Adjacency Information to Colored Topology by Chemical Reactivity
Journal: Current Organic Chemistry
Volume: 19 Issue: 4 Year: 2015 Page: 359-386
Author(s): Marina A. Tudoran,Mihai V. Putz
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
Molecular Electron Density Theory: A New Theoretical Outlook on Organic Chemistry
Ebook: Frontiers in Computational Chemistry
Volume: 5 Year: 2020
Author(s): Luis R. Domingo,Nivedita Acharjee
Doi: 10.2174/9789811457791120050007
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
OCWLGI Descriptors: Theory and Praxis
Journal: Current Computer-Aided Drug Design
Volume: 9 Issue: 2 Year: 2013 Page: 226-232
Author(s): Andrey A. Toropov,Alla P. Toropova,Emilio Benfenati,Giuseppina Gini
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
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
A Review of Density Functional Theory Quantum Mechanics as Applied to Pharmaceutically Relevant Systems
Journal: Current Computer-Aided Drug Design
Volume: 3 Issue: 4 Year: 2007 Page: 290-296
Author(s): Shenna M. LaPointe, Donald F. Weaver