Building and testing correlations for the estimation of one-electron reduction potentials of a diverse set of organic molecules
出版年份 2015 全文链接
标题
Building and testing correlations for the estimation of one-electron reduction potentials of a diverse set of organic molecules
作者
关键词
-
出版物
JOURNAL OF PHYSICAL ORGANIC CHEMISTRY
Volume 28, Issue 5, Pages 320-328
出版商
Wiley
发表日期
2015-01-30
DOI
10.1002/poc.3413
参考文献
相关参考文献
注意:仅列出部分参考文献,下载原文获取全部文献信息。- Detailed analysis and follow-up studies of a high-throughput screening for indoleamine 2,3-dioxygenase 1 (IDO1) inhibitors
- (2014) Ute F. Röhrig et al. EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY
- Computational electrochemistry: prediction of liquid-phase reduction potentials
- (2014) Aleksandr V. Marenich et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- Reduction potential predictions of some aromatic nitrogen-containing molecules
- (2014) Rajeev S. Assary et al. RSC Advances
- Formal Redox Potentials of Organic Molecules in Ionic Liquids on the Basis of Quaternary Nitrogen Cations as Adiabatic Electron Affinities
- (2013) Kunimasa Seto et al. JOURNAL OF PHYSICAL CHEMISTRY B
- Computational modeling of standard reduction potentials of B12cofactors
- (2012) Manoj Kumar et al. INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY
- Simple and accurate correlation of experimental redox potentials and DFT-calculated HOMO/LUMO energies of polycyclic aromatic hydrocarbons
- (2012) Dalvin D. Méndez-Hernández et al. JOURNAL OF MOLECULAR MODELING
- Expanding and Testing a Computational Method for Predicting the Ground State Reduction Potentials of Organic Molecules on the Basis of Empirical Correlation to Experiment
- (2012) Eugene J. Lynch et al. JOURNAL OF ORGANIC CHEMISTRY
- Spectral Characteristics and Photosensitization of TiO2 Nanoparticles in Reverse Micelles by Perylenes
- (2012) Laura I. Hernández et al. JOURNAL OF PHYSICAL CHEMISTRY B
- Reduction of Systematic Uncertainty in DFT Redox Potentials of Transition-Metal Complexes
- (2012) Steven J. Konezny et al. Journal of Physical Chemistry C
- Functionalizing molecular wires: a tunable class of α,ω-diphenyl-μ,ν-dicyano-oligoenes
- (2012) Jeffrey S. Meisner et al. Chemical Science
- Electrochemical and density functional theory modeled reduction of enolized 1,3-diketones
- (2011) Annemarie Kuhn et al. ELECTROCHIMICA ACTA
- Accelerated computational discovery of high-performance materials for organic photovoltaics by means of cheminformatics
- (2011) Roberto Olivares-Amaya et al. Energy & Environmental Science
- Inverse Design and Synthesis of acac-Coumarin Anchors for Robust TiO2Sensitization
- (2011) Dequan Xiao et al. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
- Experimental and Computed Absolute Redox Potentials of Polycyclic Aromatic Hydrocarbons are Highly Linearly Correlated Over a Wide Range of Structures and Potentials
- (2010) Anthony P. Davis et al. JOURNAL OF PHYSICAL CHEMISTRY A
- DFT Study on the Standard Electrode Potentials of Imidazole, Tetrathiafulvalene, and Tetrathiafulvalene−Imidazole
- (2010) Tugba Tugsuz JOURNAL OF PHYSICAL CHEMISTRY B
- Theoretical studies on oxidation potentials of organophosphorus compounds
- (2009) Jing Shi et al. JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM
- Substituent Effect on the Meso-Substituted Porphyrins: Theoretical Screening of Sensitizer Candidates for Dye-Sensitized Solar Cells
- (2009) Ruimin Ma et al. JOURNAL OF PHYSICAL CHEMISTRY A
- Calculation of One-Electron Redox Potentials Revisited. Is It Possible to Calculate Accurate Potentials with Density Functional Methods?
- (2009) Lindsay E. Roy et al. JOURNAL OF PHYSICAL CHEMISTRY A
- Higher fullerenes as electron acceptors for polymer solar cells: A quantum chemical study
- (2009) P. Morvillo SOLAR ENERGY MATERIALS AND SOLAR CELLS
- One-Electron and Two-Electron Transfers in Electrochemistry and Homogeneous Solution Reactions
- (2008) Dennis H. Evans CHEMICAL REVIEWS
- Novel Zinc Porphyrin Sensitizers for Dye-Sensitized Solar Cells: Synthesis and Spectral, Electrochemical, and Photovoltaic Properties
- (2008) Cheng-Wei Lee et al. CHEMISTRY-A EUROPEAN JOURNAL
- Quantum chemical studies on the corrosion inhibition of some sulphonamides on mild steel in acidic medium
- (2008) Taner Arslan et al. CORROSION SCIENCE
- Theoretical study of reduction potentials of substituted flavins
- (2008) Xiao-Lu Li et al. JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM
- Efficient Computational Methods for Accurately Predicting Reduction Potentials of Organic Molecules
- (2008) Amy L. Speelman et al. JOURNAL OF PHYSICAL CHEMISTRY A
- Molecular Engineering of Organic Sensitizers for Dye-Sensitized Solar Cell Applications
- (2008) Daniel P. Hagberg et al. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
Find Funding. Review Successful Grants.
Explore over 25,000 new funding opportunities and over 6,000,000 successful grants.
ExploreBecome a Peeref-certified reviewer
The Peeref Institute provides free reviewer training that teaches the core competencies of the academic peer review process.
Get Started