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Journal Articles

Nonadiabatic dynamics in a forest of coupled states: Electronic state branching in the VUV photodissociation of N₂

Natalia Gelfand, Ksenia Komarova, Françoise Remacle, Raphael D. Levine

J. Chem. Phys. 158, 164302 (2023)

https://doi.org/10.1063/5.0148798

Published: April 2023

View article titled, Nonadiabatic dynamics in a forest of coupled states: Electronic state branching in the VUV photodissociation of N2

Includes: Supplementary data

Journal Articles

4-component relativistic Hamiltonian with effective QED potentials for molecular calculations

Ayaki Sunaga, Maen Salman, Trond Saue

J. Chem. Phys. 157, 164101 (2022)

https://doi.org/10.1063/5.0116140

Published: October 2022

View article titled, 4-component relativistic Hamiltonian with effective QED potentials for molecular calculations

Journal Articles

Deuteron magnetic resonance study of glyceline deep eutectic solvents: Selective detection of choline and glycerol dynamics

Yannik Hinz, Roland Böhmer

J. Chem. Phys. 156, 194506 (2022)

https://doi.org/10.1063/5.0088290

Published: May 2022

View article titled, Deuteron magnetic resonance study of glyceline deep eutectic solvents: Selective detection of choline and glycerol dynamics

Includes: Supplementary data

Journal Articles

Ro-translational dynamics of confined water. I. The confined asymmetric rotor model

Clément Wespiser, Thomas Putaud, Yulia Kalugina, Armand Soldera, Pierre-Nicholas Roy, Xavier Michaut, Patrick Ayotte

J. Chem. Phys. 156, 074304 (2022)

https://doi.org/10.1063/5.0079565

Published: February 2022

View article titled, Ro-translational dynamics of confined water. I. The confined asymmetric rotor model

Includes: Supplementary data

Journal Articles

Innovative mass spectrometer for high-resolution ion spectroscopy

Yu Ran Lee, Chan Ho Kwon

J. Chem. Phys. 155, 164203 (2021)

https://doi.org/10.1063/5.0066348

Published: October 2021

View article titled, Innovative mass spectrometer for high-resolution ion spectroscopy

Journal Articles

Precise equilibrium structure determination of thiophene (c-C₄H₄S) by rotational spectroscopy—Structure of a five-membered heterocycle containing a third-row atom

Vanessa L. Orr, Yotaro Ichikawa, Aatmik R. Patel, Samuel M. Kougias, Kaori Kobayashi, John F. Stanton, Brian J. Esselman, R. Claude Woods, Robert J. McMahon

J. Chem. Phys. 154, 244310 (2021)

https://doi.org/10.1063/5.0055267

Published: June 2021

View article titled, Precise equilibrium structure determination of thiophene (c-C4H4S) by rotational spectroscopy—Structure of a five-membered heterocycle containing a third-row atom

Includes: Supplementary data

Journal Articles

Correlation of high-field and zero- to ultralow-field NMR properties using 2D spectroscopy

Ivan V. Zhukov, Alexey S. Kiryutin, Alexandra V. Yurkovskaya, John W. Blanchard, Dmitry Budker, Konstantin L. Ivanov

J. Chem. Phys. 154, 144201 (2021)

https://doi.org/10.1063/5.0039294

Published: April 2021

View article titled, Correlation of high-field and zero- to ultralow-field NMR properties using 2D spectroscopy

Journal Articles

Re-evaluation of ortho-para-dependence of self pressure-broadening in the ν ₁ + ν ₃ band of acetylene

Eisen C. Gross, Kimberly A. Tsang, Trevor J. Sears

J. Chem. Phys. 154, 054305 (2021)

https://doi.org/10.1063/5.0036602

Published: February 2021

View article titled, Re-evaluation of ortho-para-dependence of self pressure-broadening in the ν 1 + ν 3 band of acetylene

Includes: Supplementary data

Journal Articles

Microsolvation of myrtenal studied by microwave spectroscopy highlights the role of quasi-hydrogen bonds in the stabilization of its hydrates

Mhamad Chrayteh, Thérèse R. Huet, Pascal Dréan

J. Chem. Phys. 153, 104304 (2020)

https://doi.org/10.1063/5.0019957

Published: September 2020

View article titled, Microsolvation of myrtenal studied by microwave spectroscopy highlights the role of quasi-hydrogen bonds in the stabilization of its hydrates

Includes: Supplementary data

Journal Articles

Instanton theory of tunneling in molecules with asymmetric isotopic substitutions

Elena Jahr, Gabriel Laude, Jeremy O. Richardson

J. Chem. Phys. 153, 094101 (2020)

https://doi.org/10.1063/5.0021831

Published: September 2020

View article titled, Instanton theory of tunneling in molecules with asymmetric isotopic substitutions

Journal Articles

The role of rotation–vibration coupling in symmetric and asymmetric isotopomers of ozone

Igor Gayday, Alexander Teplukhin, Brian K. Kendrick, Dmitri Babikov

J. Chem. Phys. 152, 144104 (2020)

https://doi.org/10.1063/1.5141365

Published: April 2020

View article titled, The role of rotation–vibration coupling in symmetric and asymmetric isotopomers of ozone

Includes: Supplementary data

Journal Articles

Matrix isolation spectroscopy and spectral simulations of isotopically substituted C₆₀ molecules

Tomonari Wakabayashi, Takamasa Momose, Mario E. Fajardo

J. Chem. Phys. 151, 234301 (2019)

https://doi.org/10.1063/1.5134454

Published: December 2019

View article titled, Matrix isolation spectroscopy and spectral simulations of isotopically substituted C60 molecules

Journal Articles

Triple ionization of HCl via states with a 2p core hole

J. H. D. Eland, R. Feifel

J. Chem. Phys. 151, 114301 (2019)

https://doi.org/10.1063/1.5115552

Published: September 2019

View article titled, Triple ionization of HCl via states with a 2p core hole

Journal Articles

Suppressed-Doppler slit jet infrared spectroscopy of astrochemically relevant cations: ν 1 and ν 4 NH stretching modes in NH₃D⁺

Preston G. Scrape, Chih-Hsuan Chang, David J. Nesbitt

J. Chem. Phys. 151, 084302 (2019)

https://doi.org/10.1063/1.5113962

Published: August 2019

View article titled, Suppressed-Doppler slit jet infrared spectroscopy of astrochemically relevant cations: ν 1 and ν 4 NH stretching modes in NH3D+

Journal Articles

Automated, context-free assignment of asymmetric rotor microwave spectra

Lia Yeh, Lincoln Satterthwaite, David Patterson

J. Chem. Phys. 150, 204122 (2019)

https://doi.org/10.1063/1.5085794

Published: May 2019

View article titled, Automated, context-free assignment of asymmetric rotor microwave spectra

Includes: Supplementary data

Journal Articles

Symmetry effects in rotationally resolved spectra of bi-deuterated ethylene: Theoretical line intensities of cis, trans, and as-C₂H₂D₂ isotopomers

Dominika Viglaska, Michael Rey, Andrei V. Nikitin, Vladimir G. Tyuterev

J. Chem. Phys. 150, 194303 (2019)

https://doi.org/10.1063/1.5096883

Published: May 2019

View article titled, Symmetry effects in rotationally resolved spectra of bi-deuterated ethylene: Theoretical line intensities of cis, trans, and as-C2H2D2 isotopomers

Journal Articles

The ratio of the number of states in asymmetric and symmetric ozone molecules deviates from the statistical value of 2

Igor Gayday, Alexander Teplukhin, Dmitri Babikov

J. Chem. Phys. 150, 101104 (2019)

https://doi.org/10.1063/1.5082850

Published: March 2019

View article titled, The ratio of the number of states in asymmetric and symmetric ozone molecules deviates from the statistical value of 2

Includes: Supplementary data

Journal Articles

Controlling tunneling in ammonia isotopomers

Csaba Fábri, Roberto Marquardt, Attila G. Császár, Martin Quack

J. Chem. Phys. 150, 014102 (2019)

https://doi.org/10.1063/1.5063470

Published: January 2019

View article titled, Controlling tunneling in ammonia isotopomers

Includes: Supplementary data

Journal Articles

Erratum: “Several levels of theory for description of isotope effects in ozone: Effect of resonance lifetimes and channel couplings” [J. Chem. Phys. 149, 164302 (2018)]

Alexander Teplukhin, Igor Gayday, Dmitri Babikov

J. Chem. Phys. 149, 209901 (2018)

https://doi.org/10.1063/1.5079540

Published: November 2018

View article titled, Erratum: “Several levels of theory for description of isotope effects in ozone: Effect of resonance lifetimes and channel couplings” [J. Chem. Phys. 149, 164302 (2018)]

Journal Articles

Bond dissociation energy and electronic spectroscopy of Cr⁺(NH₃) and its isotopomers

Muhammad Affawn Ashraf, Justine Kozubal, Ricardo B. Metz

J. Chem. Phys. 149, 174301 (2018)

https://doi.org/10.1063/1.5053691

Published: November 2018

View article titled, Bond dissociation energy and electronic spectroscopy of Cr+(NH3) and its isotopomers

Includes: Supplementary data

NARROW

Topics

Nonadiabatic dynamics in a forest of coupled states: Electronic state branching in the VUV photodissociation of N₂

4-component relativistic Hamiltonian with effective QED potentials for molecular calculations

Deuteron magnetic resonance study of glyceline deep eutectic solvents: Selective detection of choline and glycerol dynamics

Ro-translational dynamics of confined water. I. The confined asymmetric rotor model

Innovative mass spectrometer for high-resolution ion spectroscopy

Precise equilibrium structure determination of thiophene (c-C₄H₄S) by rotational spectroscopy—Structure of a five-membered heterocycle containing a third-row atom

Correlation of high-field and zero- to ultralow-field NMR properties using 2D spectroscopy

Re-evaluation of ortho-para-dependence of self pressure-broadening in the ν ₁ + ν ₃ band of acetylene

Microsolvation of myrtenal studied by microwave spectroscopy highlights the role of quasi-hydrogen bonds in the stabilization of its hydrates

Instanton theory of tunneling in molecules with asymmetric isotopic substitutions

The role of rotation–vibration coupling in symmetric and asymmetric isotopomers of ozone

Matrix isolation spectroscopy and spectral simulations of isotopically substituted C₆₀ molecules

Triple ionization of HCl via states with a 2p core hole

Suppressed-Doppler slit jet infrared spectroscopy of astrochemically relevant cations: ν 1 and ν 4 NH stretching modes in NH₃D⁺

Automated, context-free assignment of asymmetric rotor microwave spectra

Symmetry effects in rotationally resolved spectra of bi-deuterated ethylene: Theoretical line intensities of cis, trans, and as-C₂H₂D₂ isotopomers

The ratio of the number of states in asymmetric and symmetric ozone molecules deviates from the statistical value of 2

Controlling tunneling in ammonia isotopomers

Erratum: “Several levels of theory for description of isotope effects in ozone: Effect of resonance lifetimes and channel couplings” [J. Chem. Phys. 149, 164302 (2018)]

Bond dissociation energy and electronic spectroscopy of Cr⁺(NH₃) and its isotopomers

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