- Home
- Publications
- Publication Search
- Publication Details
Title
How far do electrons delocalize?
Authors
Keywords
-
Journal
JOURNAL OF CHEMICAL PHYSICS
Volume 141, Issue 14, Pages 144104
Publisher
AIP Publishing
Online
2014-10-11
DOI
10.1063/1.4897264
References
Ask authors/readers for more resources
Related references
Note: Only part of the references are listed.- Practical auxiliary basis implementation of Rung 3.5 functionals
- (2014) Benjamin G. Janesko et al. JOURNAL OF CHEMICAL PHYSICS
- Perspective: Fifty years of density-functional theory in chemical physics
- (2014) Axel D. Becke JOURNAL OF CHEMICAL PHYSICS
- Density-functional description of electrides
- (2014) Stephen G. Dale et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- Extreme density-driven delocalization error for a model solvated-electron system
- (2013) Erin R. Johnson et al. JOURNAL OF CHEMICAL PHYSICS
- Density functionals for static, dynamical, and strong correlation
- (2013) Axel D. Becke JOURNAL OF CHEMICAL PHYSICS
- Description of Aromaticity with the Help of Vibrational Spectroscopy: Anthracene and Phenanthrene
- (2013) Robert Kalescky et al. JOURNAL OF PHYSICAL CHEMISTRY A
- Failures of TDDFT in describing the lowest intramolecular charge-transfer excitation in para-nitroaniline
- (2013) Janus J. Eriksen et al. MOLECULAR PHYSICS
- Analyzing effects of strong electron correlation within Kohn-Sham density-functional theory
- (2013) Emil Proynov et al. PHYSICAL REVIEW A
- Spectral Density and Metal-Insulator Phase Transition in Mott Insulators within Reduced Density Matrix Functional Theory
- (2013) S. Sharma et al. PHYSICAL REVIEW LETTERS
- Theoretical Studies of Spectroscopy and Dynamics of Hydrated Electrons
- (2012) László Turi et al. CHEMICAL REVIEWS
- Perspective on density functional theory
- (2012) Kieron Burke JOURNAL OF CHEMICAL PHYSICS
- The Fukui matrix: a simple approach to the analysis of the Fukui function and its positive character
- (2011) Patrick Bultinck et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- On the Importance of Clar Structures of Polybenzenoid Hydrocarbons as Revealed by the π-Contribution to the Electron Localization Function
- (2011) Jun Zhu et al. Symmetry-Basel
- Revealing Noncovalent Interactions
- (2010) Erin R. Johnson et al. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
- Atomic shell structure based on inhomogeneity measures of the electron density
- (2010) K. Wagner et al. THEORETICAL CHEMISTRY ACCOUNTS
- Electrides: Early Examples of Quantum Confinement
- (2009) James L. Dye ACCOUNTS OF CHEMICAL RESEARCH
- Direct Assessment of Electron Delocalization Using NMR Chemical Shifts
- (2009) Stephanâ N. Steinmann et al. ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
- Some Fundamental Issues in Ground-State Density Functional Theory: A Guide for the Perplexed
- (2009) John P. Perdew et al. Journal of Chemical Theory and Computation
- Analytic Models of Domain-Averaged Fermi Holes: A New Tool for the Study of the Nature of Chemical Bonds
- (2008) Robert Ponec et al. CHEMISTRY-A EUROPEAN JOURNAL
- The role of electronic delocalization in transition metal complexes from the electron localization function and the quantum theory of atoms in molecules viewpoints
- (2008) Eduard Matito et al. COORDINATION CHEMISTRY REVIEWS
- Universal mathematical identities in density functional theory: Results from three different spin-resolved representations
- (2008) P. Pérez et al. JOURNAL OF CHEMICAL PHYSICS
- Parameterized local hybrid functionals from density-matrix similarity metrics
- (2008) Benjamin G. Janesko et al. JOURNAL OF CHEMICAL PHYSICS
- Fractional spins and static correlation error in density functional theory
- (2008) Aron J. Cohen et al. JOURNAL OF CHEMICAL PHYSICS
- Systematic optimization of long-range corrected hybrid density functionals
- (2008) Jeng-Da Chai et al. JOURNAL OF CHEMICAL PHYSICS
Add your recorded webinar
Do you already have a recorded webinar? Grow your audience and get more views by easily listing your recording on Peeref.
Upload NowCreate your own webinar
Interested in hosting your own webinar? Check the schedule and propose your idea to the Peeref Content Team.
Create Now