The biologically relevant coordination chemistry of iron and nitric oxide: electronic structure and reactivity

N Lehnert, E Kim, HT Dong, JB Harland… - Chemical …, 2021 - ACS Publications
Nitric oxide (NO) is an important signaling molecule that is involved in a wide range of
physiological and pathological events in biology. Metal coordination chemistry, especially …

Mechanistic aspects of the reactions of nitric oxide with transition-metal complexes

PC Ford, IM Lorkovic - Chemical reviews, 2002 - ACS Publications
It is now well established that nitric oxide (aka nitrogen monoxide) plays fundamental roles
in biochemical processes. 1, 2 Early concerns with the biology of NO were largely focused …

Nitric oxide and its derivatives in the cancer battlefield

A Kamm, P Przychodzen, A Kuban-Jankowska… - Nitric oxide, 2019 - Elsevier
Elevated levels of reactive nitrogen species, alteration in redox balance and deregulated
redox signaling are common hallmarks of cancer progression and chemoresistance …

Spectroscopy of dimers, trimers and larger clusters of linear molecules

N Moazzen-Ahmadi, ARW McKellar - International Reviews in …, 2013 - Taylor & Francis
Rotationally resolved spectra of van der Waals clusters provide the most direct, precise and
unambiguous experimental probe of intermolecular potential energy surfaces, particularly in …

Effect of confinement on chemical reaction equilibria: The reactions and in carbon micropores

CH Turner, JK Johnson, KE Gubbins - The Journal of Chemical …, 2001 - pubs.aip.org
We report reactive Monte Carlo (RMC) simulations of reaction equilibria for both the nitric
oxide dimerization and the ammonia synthesis reactions. We have applied the RMC …

Catalysis of Cu cluster for NO reduction by CO: theoretical insight into the reaction mechanism

N Takagi, K Ishimura, H Miura, T Shishido… - ACS …, 2019 - ACS Publications
Density functional theory calculations here elucidated that Cu38-catalyzed NO reduction by
CO occurred not through NO dissociative adsorption but through NO dimerization. NO is …

Linkage Isomerization in Heme− NOx Compounds: Understanding NO, Nitrite, and Hyponitrite Interactions with Iron Porphyrins

N Xu, J Yi, GB Richter-Addo - Inorganic chemistry, 2010 - ACS Publications
Nitric oxide (NO) and its derivatives such as nitrite and hyponitrite are biologically important
species of relevance to human health. Much of their physiological relevance stems from their …

Critical comparison of single-reference and multireference coupled-cluster methods: Geometry, harmonic frequencies, and excitation energies of N2O2

M Tobita, SA Perera, M Musial, RJ Bartlett… - The Journal of …, 2003 - pubs.aip.org
Calculated vertical excitation energies, optimized geometries, and vibrational frequencies of
the nitric oxide dimer are reported. The ''multireference''MR nature of the problem and weak …

Reaction Behavior of the NO Molecule on the Surface of an Mn Particle (M = Ru, Rh, Pd, and Ag; n = 13 and 55): Theoretical Study of Its Dependence on Transition …

N Takagi, K Ishimura, R Fukuda, M Ehara… - The Journal of …, 2019 - ACS Publications
Reaction of NO molecule on M13 and M55 clusters (M= Ru, Rh, Pd, and Ag) was
theoretically investigated to elucidate why its reaction behavior depends on the position of …

Line shape parameters measurement and computations for self-broadened carbon dioxide transitions in the 30012← 00001 and 30013← 00001 bands, line mixing …

A Predoi-Cross, AV Unni, W Liu, I Schofield… - Journal of Molecular …, 2007 - Elsevier
Transitions of pure carbon dioxide have been measured using a Fourier transform
spectrometer in the 30012← 00001 and 30013← 00001 vibrational bands. The room …