Communication: Avoiding unbound anions in density functional calculations

Electron Attachment to Hydrated Oligonucleotide Dimers: Guanylyl-3′,5′-Cytidine and Cytidylyl-3′,5′-Guanosine

(2010) Jiande Gu et al.   CHEMISTRY-A EUROPEAN JOURNAL

Hydroxyl Radical Reactions with Adenine: Reactant Complexes, Transition States, and Product Complexes

(2010) Qianyi Cheng et al.   CHEMISTRY-A EUROPEAN JOURNAL

Vertical detachment energies of anionic thymidine: Microhydration effects

(2010) Sunghwan Kim et al.   JOURNAL OF CHEMICAL PHYSICS

Describing Anions by Density Functional Theory: Fractional Electron Affinity

(2010) Frank Jensen   Journal of Chemical Theory and Computation

Germylenes: Structures, Electron Affinities, and Singlet−Triplet Gaps of the Conventional XGeCY3(X = H, F, Cl, Br, and I; Y = F and Cl) Species and the Unexpected Cyclic XGeCY3(Y = Br and I) Systems

(2010) Ashwini Bundhun et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Accuracy of Electron Affinities of Atoms in Approximate Density Functional Theory

(2010) Donghyung Lee et al.   Journal of Physical Chemistry Letters

Acceptor Energy Level Control of Charge Photogeneration in Organic Donor/Acceptor Blends

(2010) Safa Shoaee et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Finding electron affinities with approximate density functionals

(2010) Donghyung Lee et al.   MOLECULAR PHYSICS

Elementary Lesions in DNA Subunits: Electron, Hydrogen Atom, Proton, and Hydride Transfers

(2009) Richard H. Duncan Lyngdoh et al.   ACCOUNTS OF CHEMICAL RESEARCH

Photoelectron Spectroscopy and Thermochemistry of the Peroxyformate Anion

(2009) Stephanie M. Villano et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Guanine Nucleotides: Base-Centered and Phosphate-Centered Valence-Bound Radical Anions in Aqueous Solution

(2009) Jiande Gu et al.   JOURNAL OF PHYSICAL CHEMISTRY B

A benchmark theoretical study of the electron affinities of benzene and linear acenes

(2008) B. Hajgató et al.   JOURNAL OF CHEMICAL PHYSICS

Hartree–Fock orbitals significantly improve the reaction barrier heights predicted by semilocal density functionals

(2008) Benjamin G. Janesko et al.   JOURNAL OF CHEMICAL PHYSICS

High resolution electron momentum spectroscopy of the valence orbitals of water

(2007) C.G. Ning et al.   CHEMICAL PHYSICS