The Multiradical Character of One- and Two-Dimensional Graphene Nanoribbons

Towards Polycyclic Aromatic Hydrocarbons with a Singlet Open-Shell Ground State

(2011) Christoph Lambert   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Multiconfiguration Self-Consistent Field and Multireference Configuration Interaction Methods and Applications

(2011) Péter G. Szalay et al.   CHEMICAL REVIEWS

Strong Correlation in Acene Sheets from the Active-Space Variational Two-Electron Reduced Density Matrix Method: Effects of Symmetry and Size

(2011) Kenley Pelzer et al.   JOURNAL OF PHYSICAL CHEMISTRY A

C 1s K-edge near edge X-ray absorption fine structure (NEXAFS) spectroscopy for characterizing functional group chemistry of black carbon

(2011) Karen Heymann et al.   ORGANIC GEOCHEMISTRY

Heptacene and Beyond: The Longest Characterized Acenes

(2010) Sanjio S. Zade et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Photogeneration of Octacene and Nonacene

(2010) Christina Tönshoff et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Signature of multiradical character in second hyperpolarizabilities of rectangular graphene nanoflakes

(2010) Hiroshi Nagai et al.   CHEMICAL PHYSICS LETTERS

Atomically precise bottom-up fabrication of graphene nanoribbons

(2010) Jinming Cai et al.   NATURE

A benchmark theoretical study of the electronic ground state and of the singlet-triplet split of benzene and linear acenes

(2009) B. Hajgató et al.   JOURNAL OF CHEMICAL PHYSICS

Restricted active space spin-flip configuration interaction approach: theory, implementation and examples

(2009) David Casanova et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Circumacenes versus periacenes: HOMO–LUMO gap and transition from nonmagnetic to magnetic ground state with size

(2008) De-en Jiang et al.   CHEMICAL PHYSICS LETTERS

An extended multireference study of the electronic states of para-benzyne

(2008) Evan B. Wang et al.   JOURNAL OF CHEMICAL PHYSICS

Active-space two-electron reduced-density-matrix method: Complete active-space calculations without diagonalization of the N-electron Hamiltonian

(2008) Gergely Gidofalvi et al.   JOURNAL OF CHEMICAL PHYSICS

Half-metallic graphene nanodots: A comprehensive first-principles theoretical study

(2008) Oded Hod et al.   PHYSICAL REVIEW B

The Larger Acenes: Versatile Organic Semiconductors

(2007) John E. Anthony   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Electronic Ground State of Higher Acenes

(2007) De-en Jiang et al.   JOURNAL OF PHYSICAL CHEMISTRY A