Electron localization function and electron localizability indicator applied to study the bonding in the peroxynitrous acid HOONO

Protocovalent N–O bonding in methyl nitrite (CH3ONO) and ethyl nitrite (C2H5ONO). Topological analysis of the electron localization function (ELF) and electron localizability indicator (ELI-D) functions

(2010) Slawomir Berski et al.   CHEMICAL PHYSICS LETTERS

Quantum chemical topology study on the electronic structure of cis- and trans-FONO

(2010) Slawomir Berski et al.   JOURNAL OF CHEMICAL PHYSICS

Mechanisms of Peroxynitrite-Mediated Nitration of Tyrosine

(2009) Hakan Gunaydin et al.   CHEMICAL RESEARCH IN TOXICOLOGY

The Role of Torsion/Torsion Coupling in the Vibrational Spectrum of Cis−Cis HOONO†

(2009) Anne B. McCoy et al.   JOURNAL OF PHYSICAL CHEMISTRY A

The protocovalent NO bond: Quantum chemical topology (QCT of ELF and ELI-D) study on the bonding in the nitrous acid HONO and its relevancy to the experiment

(2008) Slawomir Berski et al.   CHEMICAL PHYSICS LETTERS

Two state reactivity mechanism for the rearrangement of hydrogen peroxynitrite to nitric acid

(2008) Renato Contreras et al.   CHEMICAL PHYSICS LETTERS

Toward anab initiofragment database for bioisosterism: Dependence of QCT properties on level of theory, conformation, and chemical environment

(2008) Michael Devereux et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Molecular Dynamics Simulation of the HOONO Decomposition and the HO•/NO2•Caged Radical Pair in Water

(2008) Hakan Gunaydin et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY