Search Result "Molecular orbital energy"
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
Digraph Energy of Directed Polygons
Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 23 Issue: 0 Year: 2020 Page: 1-6
Author(s): Bo Deng,Ning Yang,Weilin Liang,Xiaoyun Lu
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
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
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
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
Computing the Energy of Certain Graphs based on Vertex Status
Journal: Current Organic Synthesis
Volume: 21 Issue: 3 Year: 2024 Page: 274-285
Author(s):
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