Global optimization of chemical cluster structures: Methods, applications, and challenges

J Zhang, VA Glezakou - International Journal of Quantum …, 2021 - Wiley Online Library
Chemical clusters are relevant to many applications in catalysis, separations, materials, and
energy sciences. Experimentally, the structure of clusters is difficult to determine, but it is …

“Water-in-salt” electrolyte-based high-voltage (2.7 V) sustainable symmetric supercapacitor with superb electrochemical performance—an analysis of the role of …

S Thareja, A Kumar - ACS Sustainable Chemistry & Engineering, 2021 - ACS Publications
The present research on an aqueous electrolyte (s)-based supercapacitor, considered to be
the next-generation storage device, is mainly focused on to achieve a wide potential window …

Machine Learning-Aided Structure Determination for TiCl4–Capped MgCl2 Nanoplate of Heterogeneous Ziegler–Natta Catalyst

G Takasao, T Wada, A Thakur, P Chammingkwan… - Acs …, 2019 - ACS Publications
Dynamic reconstruction under a physicochemical environment is an intrinsic property of
solid surfaces, in particular when associated with catalysis on nanosized or nanostructured …

Glyoxal and methylglyoxal setschenow salting constants in sulfate, nitrate, and chloride solutions: Measurements and Gibbs energies

EM Waxman, J Elm, T Kurtén… - Environmental …, 2015 - ACS Publications
Knowledge about Setschenow salting constants, KS, the exponential dependence of
Henry's Law coefficients on salt concentration, is of particular importance to predict …

Interaction of gas phase oxalic acid with ammonia and its atmospheric implications

XQ Peng, YR Liu, T Huang, S Jiang… - Physical Chemistry …, 2015 - pubs.rsc.org
Oxalic acid is believed to play an important role in the formation and growth of atmospheric
organic aerosols. However, as a common organic acid, the understanding of the larger …

Interaction of oxalic acid with dimethylamine and its atmospheric implications

J Chen, S Jiang, YR Liu, T Huang, CY Wang, SK Miao… - RSC …, 2017 - pubs.rsc.org
Oxalic acid and dimethylamine are the most common organic acid and base in the
atmosphere, and are recognized as significant precursor species in atmospheric new …

Hydration of a sulfuric acid–oxalic acid complex: acid dissociation and its atmospheric implication

SK Miao, S Jiang, J Chen, Y Ma, YP Zhu, Y Wen… - RSC Advances, 2015 - pubs.rsc.org
Oxalic acid (OA), one of the most common organic acids in the Earth's atmosphere, is
expected to enhance the nucleation and growth of nanoparticles containing sulfuric acid …

Microsolvation of NO 3−: Structural exploration and bonding analysis

E Flórez, N Acelas, C Ibargüen, S Mondal… - RSC …, 2016 - pubs.rsc.org
Exploration of the potential energy surfaces (PESs) of various microsolvated species
associated with the microsolvation of the nitrate anion using density functional theory …

Properties and atmospheric implication of methylamine–sulfuric acid–water clusters

SS Lv, SK Miao, Y Ma, MM Zhang, Y Wen… - The Journal of …, 2015 - ACS Publications
The presence of amines can increase aerosol formation rates. Most studies have been
devoted to dimethylamine as the representative of amine; however, there have been a few …

Multicomponent nucleation of malonic acid involved in the sulfuric acid-dimethylamine system and its atmospheric implications

ZQ Wang, YR Liu, CY Wang, S Jiang, YJ Feng… - Atmospheric …, 2021 - Elsevier
Malonic acid (MOA) is one of the main dicarboxylic acids in aerosols. Some field
observations and experiments have revealed that malonic acid may be involved in new …