Avogadro: an advanced semantic chemical editor, visualization, and analysis platform

Nucleophilic Degradation of Fenitrothion Insecticide and Performance of Nucleophiles: A Computational Study

(2012) Debasish Mandal et al.   JOURNAL OF PHYSICAL CHEMISTRY A

High-Resolution Electronic Spectroscopy Studies of meta-Aminobenzoic Acid in the Gas Phase Reveal the Origins of its Solvatochromic Behavior

(2011) Adam J. Fleisher et al.   CHEMPHYSCHEM

Aromatic Macrocycle Containing Amine and Imine Groups: Intramolecular Charge-Transfer and Multiple Redox Behavior

(2011) Tomohito Ide et al.   JOURNAL OF ORGANIC CHEMISTRY

A Computationally Efficient and Reliable Bond Order Measure

(2011) Raúl Mera-Adasme et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Molecular Dynamics Simulations of Membranes Composed of Glycolipids and Phospholipids

(2011) Jon Kapla et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Smooth Growth of Organic Semiconductor Films on Graphene for High-Efficiency Electronics

(2011) Gregor Hlawacek et al.   NANO LETTERS

Electronic Coupling between Two Cyclometalated Ruthenium Centers Bridged by 1,3,6,8-Tetra(2-pyridyl)pyrene (tppyr)

(2010) Chang-Jiang Yao et al.   INORGANIC CHEMISTRY

Ab Initio Calculations on the Electronically Excited States of Small Helium Clusters

(2010) Kristina D. Closser et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Simulations of Nanocylinders Self-Assembled from Cyclic β-Tripeptides

(2010) Noam Bernstein et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Internet resources integrating many small-molecule databases1

(2008) M. Sitzmann et al.   SAR AND QSAR IN ENVIRONMENTAL RESEARCH