Keyword

electron affinity

Description: The energy change associated with attaching an electron to a neutral atom or molecule, a quantity used in chemistry and materials science to describe reactivity and electronic properties.

Primary topic: Advanced Chemical Physics Studies (25%)

Wikidata ID: wiki/Q271580

OpenAlex ID: keywords/electron-affinity

Atoms, molecules, solids, and surfaces: Applications of the generalized gradient approximation for exchange and correlation

1992 · John P. Perdew, J. A. Chevary, et al. · Physical review. B, Condensed matter · 22,273

Electron affinities of the first-row atoms revisited. Systematic basis sets and wave functions

1992 · Rick A. Kendall, Thom H. Dunning, et al. · The Journal of Chemical Physics · 15,503

Gaussian basis sets for use in correlated molecular calculations. III. The atoms aluminum through argon

1993 · David E. Woon, Thom H. Dunning · The Journal of Chemical Physics · 9,500

Results obtained with the correlation energy density functionals of becke and Lee, Yang and Parr

1989 · Burkhard Miehlich, Andreas Savin, et al. · Chemical Physics Letters · 7,295

Assessment of the Perdew–Burke–Ernzerhof exchange-correlation functional

1999 · Matthias Ernzerhof, Gustavo E. Scuseria · The Journal of Chemical Physics · 5,504

Design of Density Functionals by Combining the Method of Constraint Satisfaction with Parametrization for Thermochemistry, Thermochemical Kinetics, and Noncovalent Interactions

2006 · Yan Zhao, Nathan E. Schultz, et al. · Journal of Chemical Theory and Computation · 3,746

Gaussian-2 theory for molecular energies of first- and second-row compounds

1991 · Larry A. Curtiss, Krishnan Raghavachari, et al. · The Journal of Chemical Physics · 3,440

Gaussian-3 (G3) theory for molecules containing first and second-row atoms

1998 · Larry A. Curtiss, Krishnan Raghavachari, et al. · The Journal of Chemical Physics · 2,868

Comparative assessment of a new nonempirical density functional: Molecules and hydrogen-bonded complexes

2003 · Viktor N. Staroverov, Gustavo E. Scuseria, et al. · The Journal of Chemical Physics · 2,828

Relativistic electronic-structure calculations employing a two-component no-pair formalism with external-field projection operators

1986 · Bernd A. Hess · Physical Review A · 2,521

Band alignment of rutile and anatase TiO2

2013 · David O. Scanlon, Charles W. Dunnill, et al. · Nature Materials · 2,320

Systematically convergent basis sets with relativistic pseudopotentials. II. Small-core pseudopotentials and correlation consistent basis sets for the post- d group 16–18 elements

2003 · Kirk A. Peterson, Detlev Figgen, et al. · The Journal of Chemical Physics · 2,205

Handbook of photochemistry

2007 · Choice Reviews Online · 2,078

Simplified CCSD(T)-F12 methods: Theory and benchmarks

2009 · Gerald Knizia, Thomas B. Adler, et al. · The Journal of Chemical Physics · 2,000

Density matrix averaged atomic natural orbital (ANO) basis sets for correlated molecular wave functions

1990 · Per-Olof Widmark, Per-�ke Malmqvist, et al. · Theoretical Chemistry Accounts · 1,973

Approximate Self-Consistent Molecular Orbital Theory. III. CNDO Results for AB2 and AB3 Systems

1966 · J. A. Pople, G. A. Segal · The Journal of Chemical Physics · 1,911

A New Electroaffinity Scale; Together with Data on Valence States and on Valence Ionization Potentials and Electron Affinities

1934 · Robert S. Mulliken · The Journal of Chemical Physics · 1,906

A simple model for the ionization potential, electron affinity, and aqueous redox potentials of small semiconductor crystallites

1983 · L. E. Brus · The Journal of Chemical Physics · 1,796

Absolute electronegativity and hardness correlated with molecular orbital theory

1986 · Ralph G. Pearson · Proceedings of the National Academy of Sciences · 1,772

Gaussian-3 theory using density functional geometries and zero-point energies

1999 · Anwar G. Baboul, Larry A. Curtiss, et al. · The Journal of Chemical Physics · 1,750

Design of Density Functionals That Are Broadly Accurate for Thermochemistry, Thermochemical Kinetics, and Nonbonded Interactions

2005 · Yan Zhao, Donald G. Truhlar · The Journal of Physical Chemistry A · 1,708

Efficient light-emitting diodes based on polymers with high electron affinities

1993 · N. C. Greenham, S. C. Moratti, et al. · Nature · 1,653

A Semi-Empirical Theory of the Electronic Spectra and Electronic Structure of Complex Unsaturated Molecules. II

1953 · Rudolph Pariser, Robert G. Parr · The Journal of Chemical Physics · 1,645

Electron Transport Materials for Organic Light-Emitting Diodes

2004 · Abhishek P. Kulkarni, Christopher J. Tonzola, et al. · Chemistry of Materials · 1,623

Ionization Potential, Electron Affinity, Electronegativity, Hardness, and Electron Excitation Energy: Molecular Properties from Density Functional Theory Orbital Energies

2003 · Chang-Guo Zhan, Jeffrey A. Nichols, et al. · The Journal of Physical Chemistry A · 1,557

Works count: 14,700

Citation count: 508,800