A comparison of neutral and charged species of one- and two-dimensional models of graphene nanoribbons using multireference theory

Double Pancake Bonds: Pushing the Limits of Strong π–π Stacking Interactions

(2014) Zhong-hua Cui et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Rotational Barrier in Phenalenyl Neutral Radical Dimer: Separating Pancake and van der Waals Interactions

(2014) Zhong-hua Cui et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

A comparison of singlet and triplet states for one- and two-dimensional graphene nanoribbons using multireference theory

(2014) Shawn Horn et al.   THEORETICAL CHEMISTRY ACCOUNTS

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

(2013) Felix Plasser et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Study of the Diradicaloid Character in a Prototypical Pancake-Bonded Dimer: The Stacked Tetracyanoethylene (TCNE) Anion Dimer and the Neutral K2TCNE2Complex

(2013) Zhong-hua Cui et al.   CHEMPHYSCHEM

Entanglement and Polyradical Character of Polycyclic Aromatic Hydrocarbons Predicted by Projected Hartree–Fock Theory

(2013) Pablo Rivero et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Carbocatalysts: Graphene Oxide and Its Derivatives

(2012) Chenliang Su et al.   ACCOUNTS OF CHEMICAL RESEARCH

Dispersions of Non-Covalently Functionalized Graphene with Minimal Stabilizer

(2012) Dorsa Parviz et al.   ACS Nano

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

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

Covalent Chemistry for Graphene Electronics

(2011) Sandip Niyogi et al.   Journal of Physical Chemistry Letters

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

Columbus-a program system for advanced multireference theory calculations

(2011) Hans Lischka et al.   Wiley Interdisciplinary Reviews-Computational Molecular Science

Structural Defects in Graphene

(2010) Florian Banhart et al.   ACS Nano

Large-Scale Parallel Uncontracted Multireference-Averaged Quadratic Coupled Cluster: The Ground State of the Chromium Dimer Revisited†

(2009) Thomas Müller   JOURNAL OF PHYSICAL CHEMISTRY A

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

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

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

(2008) B. Hajgató 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