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Schrödinger cat ground state representing two enantiomers of H₃O₂⁻

ChunMei Liu, Jörn Manz, Jian Wen, Yonggang Yang

J. Chem. Phys. 162, 174313 (2025)

https://doi.org/10.1063/5.0256270

Published: May 2025

View articletitled, Schrödinger cat ground state representing two enantiomers of H3O2−

Journal Articles

Improved heteronuclear decoupling performance under fast MAS by Slightly Desynchronized Phase Alternated Cycles (SDPACs)

Andrea Simion, Matthias Ernst, Claudiu Filip

J. Chem. Phys. 162, 164106 (2025)

https://doi.org/10.1063/5.0259593

Published: April 2025

View articletitled, Improved heteronuclear decoupling performance under fast MAS by Slightly Desynchronized Phase Alternated Cycles (SDPACs)

Journal Articles

Breakdown of the Stokes–Einstein relation in Stillinger–Weber silicon

Himani Rautela, Shiladitya Sengupta, Vishwas V. Vasisht

J. Chem. Phys. 162, 144502 (2025)

https://doi.org/10.1063/5.0256328

Published: April 2025

View articletitled, Breakdown of the Stokes–Einstein relation in Stillinger–Weber silicon

Journal Articles

MView: A pre- and post-processing tool for quantum chemistry calculation

Zhichao Huang, Jianwei Zhao, Lei Yang, Jiajie Zhu, Ranran Zhang

J. Chem. Phys. 162, 132501 (2025)

https://doi.org/10.1063/5.0250561

Published: April 2025

View articletitled, MView: A pre- and post-processing tool for quantum chemistry calculation

Journal Articles

Time-frequency analysis of femtosecond CARS spectroscopy of N₂ and O₂ using the superlet transform

Duo Feng, Yunfei Song, Zanhao Wang, Lin Yang, Zengming Zhang, Yanqiang Yang

J. Chem. Phys. 162, 114107 (2025)

https://doi.org/10.1063/5.0250359

Published: March 2025

View articletitled, Time-frequency analysis of femtosecond CARS spectroscopy of N2 and O2 using the superlet transform

Journal Articles

Langevin integration for isothermal–isobaric condition with a large time step

Jaewoon Jung, Yuji Sugita

J. Chem. Phys. 162, 104108 (2025)

https://doi.org/10.1063/5.0251642

Published: March 2025

View articletitled, Langevin integration for isothermal–isobaric condition with a large time step

Journal Articles

Hidden asymmetry in one-dimensional alignment of chiral molecules

Yoshi-Ichi Suzuki

J. Chem. Phys. 162, 084303 (2025)

https://doi.org/10.1063/5.0249764

Published: February 2025

View articletitled, Hidden asymmetry in one-dimensional alignment of chiral molecules

Journal Articles

Environment-limited transfer of angular momentum in Bose liquids

Alberto Cappellaro, Giacomo Bighin, Igor Cherepanov, Mikhail Lemeshko

J. Chem. Phys. 162, 074104 (2025)

https://doi.org/10.1063/5.0253451

Published: February 2025

View articletitled, Environment-limited transfer of angular momentum in Bose liquids

Journal Articles

Inertia effects in the spatial distribution and dynamics of active particles with space-dependent activity

Wen-chao Lian, Hao-chen Yang, Wen-de Tian, Tian Hui Zhang, Kang Chen

J. Chem. Phys. 162, 064903 (2025)

https://doi.org/10.1063/5.0253096

Published: February 2025

View articletitled, Inertia effects in the spatial distribution and dynamics of active particles with space-dependent activity

Journal Articles

Thermo-orientation and anomalous rotational diffusion of cone-shaped particles under a temperature gradient

Tianshun Shen, Yichen Hou, Jingbin Yang, Lijun Yang, Ruo-Yu Dong

J. Chem. Phys. 162, 064904 (2025)

https://doi.org/10.1063/5.0244679

Published: February 2025

View articletitled, Thermo-orientation and anomalous rotational diffusion of cone-shaped particles under a temperature gradient

Journal Articles

Strong parity-violation effects induced by large-amplitude motions: A quantum-dynamics study of substituted chiral methanols

Ayaki Sunaga

J. Chem. Phys. 162, 064302 (2025)

https://doi.org/10.1063/5.0249801

Published: February 2025

View articletitled, Strong parity-violation effects induced by large-amplitude motions: A quantum-dynamics study of substituted chiral methanols

Journal Articles

Electric-dipole-momentum sensitive Coulomb explosion in doubly ionized CO dimer and trimer: An environmental effect at molecular-scale

C. J. Zhang, R. T. Zhang, S. C. Yan, L. P. Zou, S. F. Zhang, K. Hansen, P. Slavíček, X. Ma

J. Chem. Phys. 162, 054302 (2025)

https://doi.org/10.1063/5.0244051

Published: February 2025

View articletitled, Electric-dipole-momentum sensitive Coulomb explosion in doubly ionized CO dimer and trimer: An environmental effect at molecular-scale

Journal Articles

When theory meets experiment: What does it take to accurately predict ¹H NMR dipolar relaxation rates in neat liquid water from theory?

Dietmar Paschek, Johanna Busch, Angel Mary Chiramel Tony, Ralf Ludwig, Anne Strate, Nore Stolte, Harald Forbert, Dominik Marx

J. Chem. Phys. 162, 054501 (2025)

https://doi.org/10.1063/5.0249826

Published: February 2025

View articletitled, When theory meets experiment: What does it take to accurately predict 1H NMR dipolar relaxation rates in neat liquid water from theory?

Journal Articles

Restoring rotational symmetry of multicomponent wavefunctions with nuclear orbitals

Félix Moncada, Andrés Reyes, Lars G. M. Pettersson

J. Chem. Phys. 162, 024110 (2025)

https://doi.org/10.1063/5.0244318

Published: January 2025

View articletitled, Restoring rotational symmetry of multicomponent wavefunctions with nuclear orbitals

Journal Articles

Dimensional confinement and superdiffusive rotational motion of uniaxial colloids in the presence of cylindrical obstacles

Vikki Anand Varma, Sujin B. Babu

J. Chem. Phys. 162, 014901 (2025)

https://doi.org/10.1063/5.0238648

Published: January 2025

View articletitled, Dimensional confinement and superdiffusive rotational motion of uniaxial colloids in the presence of cylindrical obstacles

Journal Articles

Magic-NOVEL: Suppressing electron–electron coupling effects in pulsed DNP

Amaria Javed, Marwa Yaser Ghazi, Venkata SubbaRao Redrouthu, Asif Equbal

J. Chem. Phys. 162, 014202 (2025)

https://doi.org/10.1063/5.0241288

Published: January 2025

View articletitled, Magic-NOVEL: Suppressing electron–electron coupling effects in pulsed DNP

Journal Articles

Spectroscopic study of energy transfer in collisions between vibrational excited H₂ and CO₂

Chu Qin, Xiaofang Zhao, Shuying Wang, Yifan Shen

J. Chem. Phys. 161, 244307 (2024)

https://doi.org/10.1063/5.0239602

Published: December 2024

View articletitled, Spectroscopic study of energy transfer in collisions between vibrational excited H2 and CO2

Journal Articles

Systematic ab initio calculation of spectroscopic constants for A-reduced rotational effective Hamiltonians of asymmetric top molecules using normal ordering of cylindrical angular momentum operators

Sergey V. Krasnoshchekov, Ilya M. Efremov, Igor V. Polyakov, Dmitry V. Millionshchikov

J. Chem. Phys. 161, 234105 (2024)

https://doi.org/10.1063/5.0239949

Published: December 2024

View articletitled, Systematic ab initio calculation of spectroscopic constants for A-reduced rotational effective Hamiltonians of asymmetric top molecules using normal ordering of cylindrical angular momentum operators

Journal Articles

Recasting the wobbling-in-a-cone model for the rotational anisotropy of phenylselenocyanate in poly(methyl methacrylate): Effect of internal bond rotation and polymer segmental motion

Sourav Palchowdhury, Saptarsi Mondal, Kyungwon Kwak, Minhaeng Cho

J. Chem. Phys. 161, 214112 (2024)

https://doi.org/10.1063/5.0239896

Published: December 2024

View articletitled, Recasting the wobbling-in-a-cone model for the rotational anisotropy of phenylselenocyanate in poly(methyl methacrylate): Effect of internal bond rotation and polymer segmental motion

Journal Articles

Response to “Comment on ‘On the intensity of light scattered by molecular liquids—Comparison of experiment and quantum chemical calculations’” [J. Chem. Phys. 161, 217101 (2024)]

Florian Pabst, Pierre-Michel Déjardin, Thomas Blochowicz

J. Chem. Phys. 161, 217102 (2024)

https://doi.org/10.1063/5.0233386

Published: December 2024

View articletitled, Response to “Comment on ‘On the intensity of light scattered by molecular liquids—Comparison of experiment and quantum chemical calculations’” [J. Chem. Phys. 161, 217101 (2024)]

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Schrödinger cat ground state representing two enantiomers of H₃O₂⁻

Improved heteronuclear decoupling performance under fast MAS by Slightly Desynchronized Phase Alternated Cycles (SDPACs)

Breakdown of the Stokes–Einstein relation in Stillinger–Weber silicon

MView: A pre- and post-processing tool for quantum chemistry calculation

Time-frequency analysis of femtosecond CARS spectroscopy of N₂ and O₂ using the superlet transform

Langevin integration for isothermal–isobaric condition with a large time step

Hidden asymmetry in one-dimensional alignment of chiral molecules

Environment-limited transfer of angular momentum in Bose liquids

Inertia effects in the spatial distribution and dynamics of active particles with space-dependent activity

Thermo-orientation and anomalous rotational diffusion of cone-shaped particles under a temperature gradient

Strong parity-violation effects induced by large-amplitude motions: A quantum-dynamics study of substituted chiral methanols

Electric-dipole-momentum sensitive Coulomb explosion in doubly ionized CO dimer and trimer: An environmental effect at molecular-scale

When theory meets experiment: What does it take to accurately predict ¹H NMR dipolar relaxation rates in neat liquid water from theory?

Restoring rotational symmetry of multicomponent wavefunctions with nuclear orbitals

Dimensional confinement and superdiffusive rotational motion of uniaxial colloids in the presence of cylindrical obstacles

Magic-NOVEL: Suppressing electron–electron coupling effects in pulsed DNP

Spectroscopic study of energy transfer in collisions between vibrational excited H₂ and CO₂

Systematic ab initio calculation of spectroscopic constants for A-reduced rotational effective Hamiltonians of asymmetric top molecules using normal ordering of cylindrical angular momentum operators

Recasting the wobbling-in-a-cone model for the rotational anisotropy of phenylselenocyanate in poly(methyl methacrylate): Effect of internal bond rotation and polymer segmental motion

Response to “Comment on ‘On the intensity of light scattered by molecular liquids—Comparison of experiment and quantum chemical calculations’” [J. Chem. Phys. 161, 217101 (2024)]

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