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Journal Articles

State-to-state rovibrational transition rates for CO₂ in the bend mode in collisions with He atoms

Taha Selim, Ad van der Avoird, Gerrit C. Groenenboom

J. Chem. Phys. 159, 164310 (2023)

https://doi.org/10.1063/5.0174787

Published: October 2023

View articletitled, State-to-state rovibrational transition rates for CO2 in the bend mode in collisions with He atoms

Includes: Supplementary data

Journal Articles

Efficient computational methods for rovibrational transition rates in molecular collisions

Taha Selim, Ad van der Avoird, Gerrit C. Groenenboom

J. Chem. Phys. 157, 064105 (2022)

https://doi.org/10.1063/5.0102224

Published: August 2022

View articletitled, Efficient computational methods for rovibrational transition rates in molecular collisions

Journal Articles

Correlated rotational excitations in NO–CO inelastic collisions

Guoqiang Tang, Matthieu Besemer, Jolijn Onvlee, Tijs Karman, Ad van der Avoird, Gerrit C. Groenenboom, Sebastiaan Y. T. van de Meerakker

J. Chem. Phys. 156, 214304 (2022)

https://doi.org/10.1063/5.0092561

Published: June 2022

View articletitled, Correlated rotational excitations in NO–CO inelastic collisions

Journal Articles

The He– H 3 + complex. II. Infrared predissociation spectrum and energy term diagram

Thomas Salomon, Stefan Brackertz, Oskar Asvany, Igor Savić, Dieter Gerlich, Michael E. Harding, Filippo Lipparini, Jürgen Gauss, Ad van der Avoird, Stephan Schlemmer

J. Chem. Phys. 156, 144308 (2022)

https://doi.org/10.1063/5.0087427

Published: April 2022

View articletitled, The He– H 3 + complex. II. Infrared predissociation spectrum and energy term diagram

Includes: Supplementary data

Journal Articles

The He– H 3 + complex. I. Vibration-rotation-tunneling states and transition probabilities

Michael E. Harding, Filippo Lipparini, Jürgen Gauss, Dieter Gerlich, Stephan Schlemmer, Ad van der Avoird

J. Chem. Phys. 156, 144307 (2022)

https://doi.org/10.1063/5.0087357

Published: April 2022

View articletitled, The He– H 3 + complex. I. Vibration-rotation-tunneling states and transition probabilities

Includes: Supplementary data

Journal Articles

Ab initio study of the O₃–N₂ complex: Potential energy surface and rovibrational states

Yulia N. Kalugina, Oleg Egorov, Ad van der Avoird

J. Chem. Phys. 155, 054308 (2021)

https://doi.org/10.1063/5.0061749

Published: August 2021

View articletitled, Ab initio study of the O3–N2 complex: Potential energy surface and rovibrational states

Includes: Supplementary data

Journal Articles

Multi-channel distorted-wave Born approximation for rovibrational transition rates in molecular collisions

Taha Selim, Arthur Christianen, Ad van der Avoird, Gerrit C. Groenenboom

J. Chem. Phys. 155, 034105 (2021)

https://doi.org/10.1063/5.0058576

Published: July 2021

View articletitled, Multi-channel distorted-wave Born approximation for rovibrational transition rates in molecular collisions

Includes: Supplementary data

Journal Articles

Experimental and theoretical investigation of resonances in low-energy NO–H₂ collisions

Quan Shuai, Tim de Jongh, Matthieu Besemer, Ad van der Avoird, Gerrit C. Groenenboom, Sebastiaan Y. T. van de Meerakker

J. Chem. Phys. 153, 244302 (2020)

https://doi.org/10.1063/5.0033488

Published: December 2020

View articletitled, Experimental and theoretical investigation of resonances in low-energy NO–H2 collisions

Journal Articles

Potential energy surface and bound states of the H₂O–HF complex

Jérôme Loreau, Yulia N. Kalugina, Alexandre Faure, Ad van der Avoird, François Lique

J. Chem. Phys. 153, 214301 (2020)

https://doi.org/10.1063/5.0030064

Published: December 2020

View articletitled, Potential energy surface and bound states of the H2O–HF complex

Includes: Supplementary data

Journal Articles

Correlations in rotational energy transfer for NO–D₂ inelastic collisions

Guoqiang Tang, Matthieu Besemer, Tim de Jongh, Quan Shuai, Ad van der Avoird, Gerrit C. Groenenboom, Sebastiaan Y. T. van de Meerakker

J. Chem. Phys. 153, 064301 (2020)

https://doi.org/10.1063/5.0019472

Published: August 2020

View articletitled, Correlations in rotational energy transfer for NO–D2 inelastic collisions

Journal Articles

Ab initio potential energy surface and microwave spectrum of the NH₃–N₂ van der Waals complex

Leonid A. Surin, Ivan V. Tarabukin, Marius Hermanns, Bettina Heyne, Stephan Schlemmer, Yulia N. Kalugina, Ad van der Avoird

J. Chem. Phys. 152, 234304 (2020)

https://doi.org/10.1063/5.0011557

Published: June 2020

View articletitled, Ab initio potential energy surface and microwave spectrum of the NH3–N2 van der Waals complex

Includes: Supplementary data

Journal Articles

Energy dependent parity-pair behavior in NO + He collisions

Jolijn Onvlee, Sjoerd N. Vogels, Tijs Karman, Gerrit C. Groenenboom, Sebastiaan Y. T. van de Meerakker, Ad van der Avoird

J. Chem. Phys. 149, 084306 (2018)

https://doi.org/10.1063/1.5042074

Published: August 2018

View articletitled, Energy dependent parity-pair behavior in NO + He collisions

Journal Articles

Erratum: “Hyperfine interactions and internal rotation in methanol” [J. Chem. Phys. 145, 244301 (2016)]

Boy Lankhaar, Gerrit C. Groenenboom, Ad van der Avoird

J. Chem. Phys. 148, 149901 (2018)

https://doi.org/10.1063/1.5030801

Published: April 2018

View articletitled, Erratum: “Hyperfine interactions and internal rotation in methanol” [J. Chem. Phys. 145, 244301 (2016)]

Journal Articles

Diabatic states, nonadiabatic coupling, and the counterpoise procedure for weakly interacting open-shell molecules

Tijs Karman, Matthieu Besemer, Ad van der Avoird, Gerrit C. Groenenboom

J. Chem. Phys. 148, 094105 (2018)

https://doi.org/10.1063/1.5013091

Published: March 2018

View articletitled, Diabatic states, nonadiabatic coupling, and the counterpoise procedure for weakly interacting open-shell molecules

Journal Articles

Nuclear spin/parity dependent spectroscopy and predissociation dynamics in v_OH = 2 ← 0 overtone excited Ne–H₂O clusters: Theory and experiment

Michael P. Ziemkiewicz, Christian Pluetzer, Jérôme Loreau, Ad van der Avoird, David J. Nesbitt

J. Chem. Phys. 147, 214304 (2017)

https://doi.org/10.1063/1.5001335

Published: December 2017

View articletitled, Nuclear spin/parity dependent spectroscopy and predissociation dynamics in vOH = 2 ← 0 overtone excited Ne–H2O clusters: Theory and experiment

Journal Articles

Potential energy and dipole moment surfaces of the triplet states of the O₂( X 3 Σ g − ) − O₂( X 3 Σ g − , a 1 Δ g , b 1 Σ g + ) complex

Tijs Karman, Ad van der Avoird, Gerrit C. Groenenboom

J. Chem. Phys. 147, 084306 (2017)

https://doi.org/10.1063/1.4990661

Published: August 2017

View articletitled, Potential energy and dipole moment surfaces of the triplet states of the O2( X 3 Σ g − ) − O2( X 3 Σ g − , a 1 Δ g , b 1 Σ g + ) complex

Includes: Supplementary data

Journal Articles

Line-shape theory of the X 3 Σ g − → a 1 Δ g , b 1 Σ g + transitions in O₂–O₂ collision-induced absorption

Tijs Karman, Ad van der Avoird, Gerrit C. Groenenboom

J. Chem. Phys. 147, 084307 (2017)

https://doi.org/10.1063/1.4990662

Published: August 2017

View articletitled, Line-shape theory of the X 3 Σ g − → a 1 Δ g , b 1 Σ g + transitions in O2–O2 collision-induced absorption

Journal Articles

Imaging diffraction oscillations for inelastic collisions of NO radicals with He and D₂

Tim de Jongh, Tijs Karman, Sjoerd N. Vogels, Matthieu Besemer, Jolijn Onvlee, Arthur G. Suits, James O. F. Thompson, Gerrit C. Groenenboom, Ad van der Avoird, Sebastiaan Y. T. van de Meerakker

J. Chem. Phys. 147, 013918 (2017)

https://doi.org/10.1063/1.4981023

Published: April 2017

View articletitled, Imaging diffraction oscillations for inelastic collisions of NO radicals with He and D2

Includes: Supplementary data

Journal Articles

Near infrared overtone (v_OH = 2 ← 0) spectroscopy of Ne–H₂O clusters

Michael P. Ziemkiewicz, Christian Pluetzer, Michael Wojcik, Jérôme Loreau, Ad van der Avoird, David J. Nesbitt

J. Chem. Phys. 146, 104204 (2017)

https://doi.org/10.1063/1.4977061

Published: March 2017

View articletitled, Near infrared overtone (vOH = 2 ← 0) spectroscopy of Ne–H2O clusters

Journal Articles

Using a direct simulation Monte Carlo approach to model collisions in a buffer gas cell

Maximilian J. Doppelbauer, Otto Schullian, Jerome Loreau, Nathalie Vaeck, Ad van der Avoird, Christopher J. Rennick, Timothy P. Softley, Brianna R. Heazlewood

J. Chem. Phys. 146, 044302 (2017)

https://doi.org/10.1063/1.4974253

Published: January 2017

View articletitled, Using a direct simulation Monte Carlo approach to model collisions in a buffer gas cell

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State-to-state rovibrational transition rates for CO₂ in the bend mode in collisions with He atoms

Efficient computational methods for rovibrational transition rates in molecular collisions

Correlated rotational excitations in NO–CO inelastic collisions

The He– H 3 + complex. II. Infrared predissociation spectrum and energy term diagram

The He– H 3 + complex. I. Vibration-rotation-tunneling states and transition probabilities

Ab initio study of the O₃–N₂ complex: Potential energy surface and rovibrational states

Multi-channel distorted-wave Born approximation for rovibrational transition rates in molecular collisions

Experimental and theoretical investigation of resonances in low-energy NO–H₂ collisions

Potential energy surface and bound states of the H₂O–HF complex

Correlations in rotational energy transfer for NO–D₂ inelastic collisions

Ab initio potential energy surface and microwave spectrum of the NH₃–N₂ van der Waals complex

Energy dependent parity-pair behavior in NO + He collisions

Erratum: “Hyperfine interactions and internal rotation in methanol” [J. Chem. Phys. 145, 244301 (2016)]

Diabatic states, nonadiabatic coupling, and the counterpoise procedure for weakly interacting open-shell molecules

Nuclear spin/parity dependent spectroscopy and predissociation dynamics in v_OH = 2 ← 0 overtone excited Ne–H₂O clusters: Theory and experiment

Potential energy and dipole moment surfaces of the triplet states of the O₂( X 3 Σ g − ) − O₂( X 3 Σ g − , a 1 Δ g , b 1 Σ g + ) complex

Line-shape theory of the X 3 Σ g − → a 1 Δ g , b 1 Σ g + transitions in O₂–O₂ collision-induced absorption

Imaging diffraction oscillations for inelastic collisions of NO radicals with He and D₂

Near infrared overtone (v_OH = 2 ← 0) spectroscopy of Ne–H₂O clusters

Using a direct simulation Monte Carlo approach to model collisions in a buffer gas cell

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