X Zou, M Zhai, G Liu, L Guo, Y Zhang… - Energy Conversion and …, 2024 - Elsevier
Biomass as a zero-carbon fuel plays a pivotal role in global sustainable energy development. Among diverse biomass-based energy utilization methods, biomass steam …
J Li, B Zhao, D Xie, H Guo - The Journal of Physical Chemistry …, 2020 - ACS Publications
Dynamics of bimolecular reactions in the gas phase are of foundational importance in combustion, atmospheric chemistry, interstellar chemistry, and plasma chemistry. These …
DH Zhang, H Guo - Annual review of physical chemistry, 2016 - annualreviews.org
In this review, we survey the latest advances in theoretical understanding of bimolecular reaction dynamics in the past decade. The remarkable recent progress in this field has been …
S Chai, GJ Zhao, P Song, SQ Yang, JY Liu… - Physical Chemistry …, 2009 - pubs.rsc.org
In the present work, the excited-state double proton transfer (ESDPT) in 2-aminopyridine (2AP)/acid systems has been reconsidered using the combined experimental and …
B Fu, DH Zhang - Journal of Chemical Theory and Computation, 2018 - ACS Publications
There has been great progress in the development of potential energy surfaces (PESs) and quantum dynamics calculations in the gas phase. The establishment of a fitting procedure …
B Fu, X Shan, DH Zhang, DC Clary - Chemical Society Reviews, 2017 - pubs.rsc.org
This review surveys quantum scattering calculations on chemical reactions of polyatomic molecules in the gas phase published in the last ten years. These calculations are useful …
J Li, B Jiang, H Song, J Ma, B Zhao… - The Journal of …, 2015 - ACS Publications
We survey the recent advances in theoretical understanding of quantum state resolved dynamics, using the title reactions as examples. It is shown that the progress was made …
Over the past ten years or so, great advances in our understanding of the dynamics of elementary (bimolecular) polyatomic reactions in the gas-phase have occurred. This has …
B Fu, YC Han, JM Bowman… - Proceedings of the …, 2012 - National Acad Sciences
The O (3P)+ C2H4 reaction, of importance in combustion and atmospheric chemistry, stands out as a paradigm reaction involving triplet-and singlet-state potential energy surfaces …