Quantum dynamics of complex-forming bimolecular reactions

H Guo - International Reviews in Physical Chemistry, 2012 - Taylor & Francis
Many gas-phase chemical reactions proceed via reaction intermediates, supported by
potential wells. The characteristics of such complex-forming reactions differ drastically from …

Quantum scattering calculations on chemical reactions

SC Althorpe, DC Clary - Annual review of physical chemistry, 2003 - annualreviews.org
▪ Abstract This review discusses recent quantum scattering calculations on bimolecular
chemical reactions in the gas phase. This theory provides detailed and accurate predictions …

[HTML][HTML] Perspective: Ultracold molecules and the dawn of cold controlled chemistry

N Balakrishnan - The Journal of chemical physics, 2016 - pubs.aip.org
Ultracold molecules offer unprecedented opportunities for the controlled interrogation of
molecular events, including chemical reactivity in the ultimate quantum regime. The …

An all-organic composite actuator material with a high dielectric constant

QM Zhang, H Li, M Poh, F Xia, ZY Cheng, H Xu… - Nature, 2002 - nature.com
Electroactive polymers (EAPs) can behave as actuators, changing their shape in response
to electrical stimulation. EAPs that are controlled by external electric fields—referred to here …

Advances and new challenges to bimolecular reaction dynamics theory

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 …

Observation of Feshbach Resonances in the F + H2 → HF + H Reaction

M Qiu, Z Ren, L Che, D Dai, SA Harich, X Wang… - Science, 2006 - science.org
Reaction resonances, or transiently stabilized transition-state structures, have proven highly
challenging to capture experimentally. Here, we used the highly sensitive H atom Rydberg …

Chemistry at ultracold temperatures

N Balakrishnan, A Dalgarno - Chemical physics letters, 2001 - Elsevier
The reaction F+ H2→ FH+ H is studied quantum mechanically at ultralow temperatures. The
low temperature limit of its rate coefficient is controlled by the attractive van der Waals …

An investigation of the reaction based on a full ab initio description of the open-shell character of the atom

MH Alexander, DE Manolopoulos… - The Journal of Chemical …, 2000 - pubs.aip.org
Expanding on an earlier Communication [MH Alexander, H.-J. Werner, and DE
Manolopoulos, J. Chem. Phys. 109, 5710 (1998)], we present here the full framework for the …

Ring-polymer instanton theory

JO Richardson - International reviews in physical chemistry, 2018 - Taylor & Francis
Instanton theory provides a simple description of a quantum tunnelling process in terms of
an optimal tunnelling pathway. The theory is rigorously based on quantum mechanics …

Ab initio potential energy surfaces and quantum dynamics for polyatomic bimolecular reactions

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 …