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Journal Articles

Imaging the photochemistry of cyclobutanone using ultrafast electron diffraction: Experimental results

J. Chem. Phys. 162, 184303 (2025)

https://doi.org/10.1063/5.0266559

Published: May 2025

View articletitled, Imaging the photochemistry of cyclobutanone using ultrafast electron diffraction: Experimental results

Journal Articles

Electronic quenching of N(²D) in collision with CO(¹Σ⁺) via spin-forbidden transitions

Breno R. L. Galvão, Márcio O. Alves, Dandan Lu, Hua Guo

J. Chem. Phys. 162, 154301 (2025)

https://doi.org/10.1063/5.0260316

Published: April 2025

View articletitled, Electronic quenching of N(2D) in collision with CO(1Σ+) via spin-forbidden transitions

Journal Articles

Solution of the structure of the high-coverage CO layer on the Ru(0001) surface—A combined study by density functional theory and scanning tunneling microscopy

Hannah Illner, Sung Sakong, Axel Groß, Joost Wintterlin

J. Chem. Phys. 161, 014703 (2024)

https://doi.org/10.1063/5.0215872

Published: July 2024

View articletitled, Solution of the structure of the high-coverage CO layer on the Ru(0001) surface—A combined study by density functional theory and scanning tunneling microscopy

Journal Articles

Switch the click: Ultrafast photochemistry of photoDIBO-OH tracked by time-resolved IR spectroscopy

L. Denninger, H. Brunst, L. J. G. W. van Wilderen, M. Horz, H. M. A. Masood, C. D. McNitt, I. Burghardt, V. V. Popik, J. Bredenbeck

J. Chem. Phys. 160, 174201 (2024)

https://doi.org/10.1063/5.0196923

Published: May 2024

View articletitled, Switch the click: Ultrafast photochemistry of photoDIBO-OH tracked by time-resolved IR spectroscopy

Includes: Supplementary data

Journal Articles

Computational screening of silver-based single-atom alloys catalysts for CO₂ reduction

Marionir M. C. B. Neto, Lucas G. Verga, Juarez L. F. Da Silva, Breno R. L. Galvão

J. Chem. Phys. 160, 094706 (2024)

https://doi.org/10.1063/5.0192055

Published: March 2024

View articletitled, Computational screening of silver-based single-atom alloys catalysts for CO2 reduction

Includes: Supplementary data

Journal Articles

Quantum-classical rate coefficient datasets of vibrational energy transfer in carbon monoxide based on highly accurate potential energy surface

Qizhen Hong, Loriano Storchi, Cecilia Coletti, Jia Li, Quanhua Sun, Jun Li

J. Chem. Phys. 160, 084305 (2024)

https://doi.org/10.1063/5.0189772

Published: February 2024

View articletitled, Quantum-classical rate coefficient datasets of vibrational energy transfer in carbon monoxide based on highly accurate potential energy surface

Includes: Supplementary data

Journal Articles

Experimental and numerical studies on the thermal nonequilibrium behaviors of CO with Ar, He, and H₂

Dong He, Qizhen Hong, Fei Li, Quanhua Sun, Ting Si, Xisheng Luo

J. Chem. Phys. 159, 234302 (2023)

https://doi.org/10.1063/5.0176176

Published: December 2023

View articletitled, Experimental and numerical studies on the thermal nonequilibrium behaviors of CO with Ar, He, and H2

Includes: Supplementary data

Journal Articles

High temperature decomposition of polymeric carbon monoxide at pressures up to 120 GPa

Demetrio Scelta, Matteo Ceppatelli, Roberto Bini, Anna Pakhomova, Gaston Garbarino, Mohamed Mezouar, Mario Santoro

J. Chem. Phys. 159, 084501 (2023)

https://doi.org/10.1063/5.0157907

Published: August 2023

View articletitled, High temperature decomposition of polymeric carbon monoxide at pressures up to 120 GPa

Journal Articles

Vibrational frequencies of CO bound to all three low-index cerium oxide surfaces: A consistent theoretical description of vacancy-induced changes using density functional theory

Pablo G. Lustemberg, Chengwu Yang, Yuemin Wang, Christof Wöll, M. Verónica Ganduglia-Pirovano

J. Chem. Phys. 159, 034704 (2023)

https://doi.org/10.1063/5.0153745

Published: July 2023

View articletitled, Vibrational frequencies of CO bound to all three low-index cerium oxide surfaces: A consistent theoretical description of vacancy-induced changes using density functional theory

Includes: Supplementary data

Journal Articles

Measurement and calculation of CO (7–0) overtone line intensities

Aleksandr A. Balashov, Katarzyna Bielska, Gang Li, Aleksandra A. Kyuberis, Szymon Wójtewicz, Jolanta Domysławska, Roman Ciuryło, Nikolay F. Zobov, Daniel Lisak, Jonathan Tennyson, Oleg L. Polyansky

J. Chem. Phys. 158, 234306 (2023)

https://doi.org/10.1063/5.0152996

Published: June 2023

View articletitled, Measurement and calculation of CO (7–0) overtone line intensities

Journal Articles

Dissociation dynamics of anionic carbon monoxide in dark states

Jingchen Xie, Mengyuan Fan, Xiao-Fei Gao, Bin Wu, Kedong Wang, Shan Xi Tian

J. Chem. Phys. 158, 181101 (2023)

https://doi.org/10.1063/5.0151914

Published: May 2023

View articletitled, Dissociation dynamics of anionic carbon monoxide in dark states

Includes: Supplementary data

Journal Articles

Symmetry-resolved CO desorption and oxidation dynamics on O/Ru(0001) probed at the C K-edge by ultrafast x-ray spectroscopy

J. Chem. Phys. 157, 164705 (2022)

https://doi.org/10.1063/5.0114399

Published: October 2022

View articletitled, Symmetry-resolved CO desorption and oxidation dynamics on O/Ru(0001) probed at the C K-edge by ultrafast x-ray spectroscopy

Includes: Supplementary data

Journal Articles

Polaritonic effects in the vibronic spectrum of molecules in an optical cavity

Marta L. Vidal, Frederick R. Manby, Peter J. Knowles

J. Chem. Phys. 156, 204119 (2022)

https://doi.org/10.1063/5.0089412

Published: May 2022

View articletitled, Polaritonic effects in the vibronic spectrum of molecules in an optical cavity

Journal Articles

Hot-carrier photocatalysts for artificial photosynthesis

Yasuhiko Takeda, Shunsuke Sato, Takeshi Morikawa

J. Chem. Phys. 156, 164705 (2022)

https://doi.org/10.1063/5.0088459

Published: April 2022

View articletitled, Hot-carrier photocatalysts for artificial photosynthesis

Journal Articles

Methanol decomposition on Ni(111) and O/Ni(111)

Henrik Öström, Bingjie Zhang, Tiffany Vallejo, Bryn Merrill, Jeremy Huang, Jerry LaRue

J. Chem. Phys. 156, 024704 (2022)

https://doi.org/10.1063/5.0072396

Published: January 2022

View articletitled, Methanol decomposition on Ni(111) and O/Ni(111)

Journal Articles

Erratum: “Chemisorption of carbon monoxide on (110) and (100) nickel crystal faces” [J. Chem. Phys. 52, 589 (1970)]

K. Klier, A. C. Zettlemoyer, H. Leidheiser, Jr.

J. Chem. Phys. 155, 219901 (2021)

https://doi.org/10.1063/5.0076907

Published: December 2021

View articletitled, Erratum: “Chemisorption of carbon monoxide on (110) and (100) nickel crystal faces” [J. Chem. Phys. 52, 589 (1970)]

Journal Articles

Energetics of polymeric carbon monoxide

S. A. Bonev, M. J. Lipp, J. C. Crowhurst, J. F. McCarrick

J. Chem. Phys. 155, 054501 (2021)

https://doi.org/10.1063/5.0058352

Published: August 2021

View articletitled, Energetics of polymeric carbon monoxide

Journal Articles

Exploring the next step in micro-solvation of CO in water: Infrared spectra and structural calculations of (H₂O)₄–CO and (D₂O)₄–CO

A. J. Barclay, A. Pietropolli Charmet, A. R. W. McKellar, N. Moazzen-Ahmadi

J. Chem. Phys. 154, 044310 (2021)

https://doi.org/10.1063/5.0038188

Published: January 2021

View articletitled, Exploring the next step in micro-solvation of CO in water: Infrared spectra and structural calculations of (H2O)4–CO and (D2O)4–CO

Includes: Supplementary data

Journal Articles

Rationalization of promoted reverse water gas shift reaction by Pt₃Ni alloy: Essential contribution from ensemble effect

Hong Zhang, Xuelong Wang, Anatoly I. Frenkel, Ping Liu

J. Chem. Phys. 154, 014702 (2021)

https://doi.org/10.1063/5.0037886

Published: January 2021

View articletitled, Rationalization of promoted reverse water gas shift reaction by Pt3Ni alloy: Essential contribution from ensemble effect

Includes: Supplementary data

Journal Articles

Surface-enhanced Raman spectroscopic investigation on adsorption kinetic of carbon monoxide at the solid–gas interface

Ming Ge, Minmin Xu, Yaxian Yuan, Qinghua Guo, Renao Gu, Jianlin Yao

J. Chem. Phys. 153, 234704 (2020)

https://doi.org/10.1063/5.0031193

Published: December 2020

View articletitled, Surface-enhanced Raman spectroscopic investigation on adsorption kinetic of carbon monoxide at the solid–gas interface

Includes: Supplementary data

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Imaging the photochemistry of cyclobutanone using ultrafast electron diffraction: Experimental results

Electronic quenching of N(²D) in collision with CO(¹Σ⁺) via spin-forbidden transitions

Solution of the structure of the high-coverage CO layer on the Ru(0001) surface—A combined study by density functional theory and scanning tunneling microscopy

Switch the click: Ultrafast photochemistry of photoDIBO-OH tracked by time-resolved IR spectroscopy

Computational screening of silver-based single-atom alloys catalysts for CO₂ reduction

Quantum-classical rate coefficient datasets of vibrational energy transfer in carbon monoxide based on highly accurate potential energy surface

Experimental and numerical studies on the thermal nonequilibrium behaviors of CO with Ar, He, and H₂

High temperature decomposition of polymeric carbon monoxide at pressures up to 120 GPa

Vibrational frequencies of CO bound to all three low-index cerium oxide surfaces: A consistent theoretical description of vacancy-induced changes using density functional theory

Measurement and calculation of CO (7–0) overtone line intensities

Dissociation dynamics of anionic carbon monoxide in dark states

Symmetry-resolved CO desorption and oxidation dynamics on O/Ru(0001) probed at the C K-edge by ultrafast x-ray spectroscopy

Polaritonic effects in the vibronic spectrum of molecules in an optical cavity

Hot-carrier photocatalysts for artificial photosynthesis

Methanol decomposition on Ni(111) and O/Ni(111)

Erratum: “Chemisorption of carbon monoxide on (110) and (100) nickel crystal faces” [J. Chem. Phys. 52, 589 (1970)]

Energetics of polymeric carbon monoxide

Exploring the next step in micro-solvation of CO in water: Infrared spectra and structural calculations of (H₂O)₄–CO and (D₂O)₄–CO

Rationalization of promoted reverse water gas shift reaction by Pt₃Ni alloy: Essential contribution from ensemble effect

Surface-enhanced Raman spectroscopic investigation on adsorption kinetic of carbon monoxide at the solid–gas interface

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