Co(CN)3 catalysts with well-defined coordination structure for the oxygen reduction reaction

K Sun, J Dong, H Sun, X Wang, J Fang, Z Zhuang… - Nature Catalysis, 2023 - nature.com
Metal-nitrogen-doped carbon (MNC) catalysts are promising platinum group metals
alternatives for fuel cell cathodes; however, their randomly formed, unpredictable …

A local diabatisation method for two-state adiabatic conical intersections

E Vandaele, M Mališ, S Luber - Journal of Chemical Theory and …, 2024 - ACS Publications
A methodology to locally characterize conical intersections (CIs) between two adiabatic
electronic states for which no nonadiabatic coupling (NAC) vectors are available is …

An Experimental and Master Equation Investigation of Kinetics of the CH2OO + RCN Reactions (R = H, CH3, C2H5) and Their Atmospheric Relevance

L Franzon, J Peltola, R Valiev, N Vuorio… - The Journal of …, 2023 - ACS Publications
We have performed direct kinetic measurements of the CH2OO+ RCN reactions (R= H, CH3,
C2H5) in the temperature range 233–360 K and pressure range 10–250 Torr using time …

Formation of Formamide from HCN + H2O: A Computational Study on the Roles of a Second H2O as a Catalyst, as a Spectator, and as a Reactant

N Darla, D Sharma, S Sitha - The Journal of Physical Chemistry A, 2019 - ACS Publications
Formamide (NH2CHO), being the smallest and fundamental building block of life (with a
peptide linkage), has recently been able to attract much interests, in the field of …

Aminohydroxymethylene (H2N–C̈–OH), the Simplest Aminooxycarbene

B Bernhardt, M Ruth, HP Reisenauer… - The Journal of …, 2021 - ACS Publications
We generated and isolated hitherto unreported aminohydroxymethylene (1,
aminohydroxycarbene) in solid Ar via pyrolysis of oxalic acid monoamide (2) …

Dynamics of HCN, HNC, and HNCO Formation in the 193 nm Photodissociation of Formamide

KL Caster, NA Seifert, B Ruscic… - The Journal of …, 2024 - ACS Publications
Formamide (NH2CHO) is the simplest molecule containing a peptide linkage [− NH–C (═
O)−], and it plays an essential role in the study of prebiotic chemistry. Exposure to UV …

Reaction between NH3 (X̌1A1) and CO (X1Σ+): A Computational Insight into the Reaction Mechanism of Formamide (H2N–CHO) Formation

N Darla, S Sitha - The Journal of Physical Chemistry A, 2019 - ACS Publications
Formamide (NH2CHO) is the smallest molecular unit that contains the basic peptide linkage
and thus has recently attracted a great amount of interest in the field of astrochemistry. In this …

Diarylformamides as a safe reservoir and room temperature source of ultra‐pure CO for a 'green'rWGS reaction

R Hurtado, L Lou, L Klerner, ID Inaloo… - …, 2024 - Wiley Online Library
Diarylformamides are shown to be a safe reservoir and source of CO. Perfectly selective
decarbonylation is achieved in solution at room temperature with potassium and cesium …

New physical insights: Formamide discharge decomposition and the role of fragments in the formation of large biomolecules

A Pastorek, VHJ Clark, SN Yurchenko, M Ferus… - … Acta Part A: Molecular …, 2022 - Elsevier
In this work we present a time-resolved FTIR spectroscopic study on kinetics of atomic and
molecular species, specifically CO, CN radical, N 2, HCN and CO 2 generated in a glow …

High intensity x-ray interaction with a model bio-molecule system: double-core-hole states and fragmentation of formamide

D Koulentianos, AEA Fouda… - Journal of Physics B …, 2020 - iopscience.iop.org
Formamide, a simple model bio-molecule (HCONH 2), is irradiated with high intensity,
ultrashort pulses from an x-ray free electron laser. Ionic fragments resulting from …