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Revealing the importance of kinetics in N-coordinated dual-metal sites catalyzed oxygen reduction reaction

Journal of catalysis, 2021-04, Vol.396, p.215-223

2021

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Vibrational enhancement in the dynamics of ammonia dissociative chemisorption on Ru(0001)

The Journal of chemical physics, 2018-07, Vol.149 (4), p.044703-044703

2018

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Statistical quantum mechanical approach to diatom–diatom capture dynamics and application to ultracold KRb + KRb reaction

The Journal of chemical physics, 2020-06, Vol.152 (24), p.241103-241103

2020

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Axial ligand effect on the stability of Fe–N–C electrocatalysts for acidic oxygen reduction reaction

Nano energy, 2020-12, Vol.78, p.105128, Article 105128

2020

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An interaction-asymptotic region decomposition method for general state-to-state reactive scatterings

The Journal of chemical physics, 2019-04, Vol.150 (13), p.134105-134105

2019

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A new full-dimensional ab initio intermolecular potential energy surface and vibrational states for (HF)2 and (DF)2

The Journal of chemical physics, 2019-04, Vol.150 (15), p.154302

2019

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A full-dimensional ab initio intermolecular potential energy surface and rovibrational spectra for OC–HF and OC–DF

The Journal of chemical physics, 2021-08, Vol.155 (8), p.084302-084302

2021

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A permutationally invariant full-dimensional ab initio potential energy surface for the abstraction and exchange channels of the H + CH4 system

The Journal of chemical physics, 2015-05, Vol.142 (20), p.204302-204302

2015

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Predicted infrared spectra in the HF stretching band of the H2–HF complex

The Journal of chemical physics, 2018-09, Vol.149 (9), p.094307-094307

2018

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Vibrationally excited molecular hydrogen production from the water photochemistry

Nature communications, 2021-11, Vol.12 (1), p.6303-6303, Article 6303

2021

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Enhancing dissociative chemisorption of H₂O on Cu(111) via vibrational excitation

Proceedings of the National Academy of Sciences - PNAS, 2012-06, Vol.109 (26), p.10224-10227

2012

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Quantum wavepacket method for state-to-state reactive cross sections in hyperspherical coordinates

The Journal of chemical physics, 2018-11, Vol.149 (17), p.174103-174103

2018

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Quantum dynamics of the energy transfer for vibrationally excited HF (v = 7) colliding with D2 (v = 0): Theory assessing experiment

The Journal of chemical physics, 2021-03, Vol.154 (11), p.114303-114303

2021

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Fully quantum calculations of the line shape parameters for 1-0 P(22) and P(31) lines of CO perturbed by He or Ar

The Journal of chemical physics, 2022-12, Vol.157 (22), p.224301-224301

2022

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Quantum dynamics of ClH2O− photodetachment: Isotope effect and impact of anion vibrational excitation

The Journal of chemical physics, 2018-02, Vol.148 (6), p.064305-064305

2018

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Hydroxyl super rotors from vacuum ultraviolet photodissociation of water

Nature communications, 2019-03, Vol.10 (1), p.1250-1250, Article 1250

2019

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Breakdown of energy transfer gap laws revealed by full-dimensional quantum scattering between HF molecules

Nature communications, 2019-10, Vol.10 (1), p.4658-6, Article 4658

2019

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Three body photodissociation of the water molecule and its implications for prebiotic oxygen production

Nature communications, 2021-04, Vol.12 (1), p.2476-2476, Article 2476

2021

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A full-dimensional ab initio intermolecular potential energy surface and ro-vibrational spectra for N2–HF and N2–DF

The Journal of chemical physics, 2020-02, Vol.152 (8), p.084304-084304

2020

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Dissection of the Multichannel Reaction O(3P) + C2H2: Differential Cross-Sections and Product Energy Distributions

Molecules (Basel, Switzerland), 2022-01, Vol.27 (3), p.754

2022

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Vibronic origin of sulfur mass-independent isotope effect in photoexcitation of SO₂ and the implications to the early earth’s atmosphere

Proceedings of the National Academy of Sciences - PNAS, 2013-10, Vol.110 (44), p.17697-17702

2013

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Nanoparticle encapsulation in vesicles formed by amphiphilic diblock copolymers

Soft matter, 2017, Vol.13 (43), p.7840-7847

2017

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Single atom detachment from Cu clusters, and diffusion and trapping on CeO2(111): implications in Ostwald ripening and atomic redispersion

Nanoscale, 2018-01, Vol.10 (37), p.17893-17901

2018

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Communication: Rigorous quantum dynamics of O + O2 exchange reactions on an ab initio potential energy surface substantiate the negative temperature dependence of rate coefficients

The Journal of chemical physics, 2014-08, Vol.141 (8), p.081102-081102

2014

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Revealing Atom-Radical Reactivity at Low Temperature Through the N + OH Reaction

Science (American Association for the Advancement of Science), 2011-12, Vol.334 (6062), p.1538-1541

2011

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Revealing the importance of kinetics in N-coordinated dual-metal sites catalyzed oxygen reduction reaction

Vibrational enhancement in the dynamics of ammonia dissociative chemisorption on Ru(0001)

Statistical quantum mechanical approach to diatom–diatom capture dynamics and application to ultracold KRb + KRb reaction

Axial ligand effect on the stability of Fe–N–C electrocatalysts for acidic oxygen reduction reaction

An interaction-asymptotic region decomposition method for general state-to-state reactive scatterings

A new full-dimensional ab initio intermolecular potential energy surface and vibrational states for (HF)2 and (DF)2

A full-dimensional ab initio intermolecular potential energy surface and rovibrational spectra for OC–HF and OC–DF

A permutationally invariant full-dimensional ab initio potential energy surface for the abstraction and exchange channels of the H + CH4 system

Predicted infrared spectra in the HF stretching band of the H2–HF complex

Vibrationally excited molecular hydrogen production from the water photochemistry

Enhancing dissociative chemisorption of H₂O on Cu(111) via vibrational excitation

Quantum wavepacket method for state-to-state reactive cross sections in hyperspherical coordinates

Quantum dynamics of the energy transfer for vibrationally excited HF (v = 7) colliding with D2 (v = 0): Theory assessing experiment

Fully quantum calculations of the line shape parameters for 1-0 P(22) and P(31) lines of CO perturbed by He or Ar

Quantum dynamics of ClH2O− photodetachment: Isotope effect and impact of anion vibrational excitation

Hydroxyl super rotors from vacuum ultraviolet photodissociation of water

Breakdown of energy transfer gap laws revealed by full-dimensional quantum scattering between HF molecules

Three body photodissociation of the water molecule and its implications for prebiotic oxygen production

A full-dimensional ab initio intermolecular potential energy surface and ro-vibrational spectra for N2–HF and N2–DF

Dissection of the Multichannel Reaction O(3P) + C2H2: Differential Cross-Sections and Product Energy Distributions

Vibronic origin of sulfur mass-independent isotope effect in photoexcitation of SO₂ and the implications to the early earth’s atmosphere

Nanoparticle encapsulation in vesicles formed by amphiphilic diblock copolymers

Single atom detachment from Cu clusters, and diffusion and trapping on CeO2(111): implications in Ostwald ripening and atomic redispersion

Communication: Rigorous quantum dynamics of O + O2 exchange reactions on an ab initio potential energy surface substantiate the negative temperature dependence of rate coefficients

Revealing Atom-Radical Reactivity at Low Temperature Through the N + OH Reaction

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