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Journal Articles

Rate enhancing role of molybdenum chloride in molten KCl for methane activation

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Aditya Goyal, Baljit Singh, Horia Metiu, Vishal Agarwal
Journal: The Journal of Chemical Physics
J. Chem. Phys. 162, 204702 (2025)
https://doi.org/10.1063/5.0268161
Published: May 2025
View articletitled, Rate enhancing role of molybdenum chloride in molten KCl for methane activation
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Theory of frequency fluctuation of intramolecular vibration in solution phase: Application to C–N stretching mode of organic compounds

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Naoki Negishi, Daisuke Yokogawa
Journal: The Journal of Chemical Physics
J. Chem. Phys. 162, 104103 (2025)
https://doi.org/10.1063/5.0253421
Published: March 2025
View articletitled, Theory of frequency fluctuation of intramolecular vibration in solution phase: Application to C–N stretching mode of organic compounds
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Journal Articles

Impact of disorder on the exciton dynamics of an open quantum battery

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Zohreh Khodadad, Jalal Tarabishi, Gabriel Hanna
Journal: The Journal of Chemical Physics
J. Chem. Phys. 162, 074309 (2025)
https://doi.org/10.1063/5.0247924
Published: February 2025
View articletitled, Impact of disorder on the exciton dynamics of an open quantum battery
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Journal Articles

Collective excitations in active solids featuring alignment interactions

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Yutaka Kinoshita, Nariya Uchida, Andreas M. Menzel
Journal: The Journal of Chemical Physics
J. Chem. Phys. 162, 054906 (2025)
https://doi.org/10.1063/5.0244615
Published: February 2025
View articletitled, Collective excitations in active solids featuring alignment interactions
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Journal Articles

Tunneling barriers in an extended Marcus theory of electron transfer: Incorporating effects of the bridging medium

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Ravinder Kumar, Ravindra Venkatramani
Journal: The Journal of Chemical Physics
J. Chem. Phys. 161, 244109 (2024)
https://doi.org/10.1063/5.0235076
Published: December 2024
View articletitled, Tunneling barriers in an extended Marcus theory of electron transfer: Incorporating effects of the bridging medium
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Journal Articles

Mitigation of thermal artifacts in 100 kHz ultrafast 2D IR spectroscopy

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Harrison J. Esterly, Shivani T. Shivani, Kieran M. Farrell, Martin T. Zanni
Journal: The Journal of Chemical Physics
J. Chem. Phys. 161, 214202 (2024)
https://doi.org/10.1063/5.0240793
Published: December 2024
View articletitled, Mitigation of thermal artifacts in 100 kHz ultrafast 2D IR spectroscopy
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Journal Articles

Two-dimensional optical binding based on graphene surface plasmon excitation

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H. Ferrari, M. Cuevas
Journal: The Journal of Chemical Physics
J. Chem. Phys. 161, 214101 (2024)
https://doi.org/10.1063/5.0231722
Published: December 2024
View articletitled, Two-dimensional optical binding based on graphene surface plasmon excitation
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Journal Articles

When can flexible weak polyelectrolytes be treated as effective rigid objects?

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Javier Orradre, Pablo M. Blanco, Sergio Madurga, Francesc Mas, Josep Lluís Garcés
Journal: The Journal of Chemical Physics
J. Chem. Phys. 161, 204906 (2024)
https://doi.org/10.1063/5.0233986
Published: November 2024
View articletitled, When can flexible weak polyelectrolytes be treated as effective rigid objects?
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Structuring in thin films during meniscus-guided deposition

Open Access
René de Bruijn, Anton A. Darhuber, Jasper J. Michels, Paul van der Schoot
Journal: The Journal of Chemical Physics
J. Chem. Phys. 161, 194709 (2024)
https://doi.org/10.1063/5.0225995
Published: November 2024
View articletitled, Structuring in thin films during meniscus-guided deposition
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Journal Articles

Influence of temperature and crack-tip speed on crack propagation in elastic solids

Open Access
B. N. J. Persson
Journal: The Journal of Chemical Physics
J. Chem. Phys. 161, 184704 (2024)
https://doi.org/10.1063/5.0236699
Published: November 2024
View articletitled, Influence of temperature and crack-tip speed on crack propagation in elastic solids
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Journal Articles

Effect of locally excited state on fluorescence transition dipole moment in quadrupolar molecules subjected to symmetry breaking charge transfer

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Tatyana V. Mikhailova, Valentina A. Mikhailova, Anatoly I. Ivanov
Journal: The Journal of Chemical Physics
J. Chem. Phys. 161, 154303 (2024)
https://doi.org/10.1063/5.0237870
Published: October 2024
View articletitled, Effect of locally excited state on fluorescence transition dipole moment in quadrupolar molecules subjected to symmetry breaking charge transfer
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Journal Articles

Unraveling abnormal collective effects via the non-monotonic number dependence of electron transfer in confined electromagnetic fields

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Shravan Kumar Sharma, Hsing-Ta Chen
Journal: The Journal of Chemical Physics
J. Chem. Phys. 161, 104102 (2024)
https://doi.org/10.1063/5.0225434
Published: September 2024
View articletitled, Unraveling abnormal collective effects via the non-monotonic number dependence of electron transfer in confined electromagnetic fields
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Journal Articles

Insight into properties of sizable glass former from volumetric measurements

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Marzena Rams-Baron, Alfred Błażytko, Riccardo Casalini, Marian Paluch
Journal: The Journal of Chemical Physics
J. Chem. Phys. 161, 064502 (2024)
https://doi.org/10.1063/5.0217660
Published: August 2024
View articletitled, Insight into properties of sizable glass former from volumetric measurements
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Journal Articles

Evolution of liquid phase during homogenous non-equilibrium melting of Ta at superheating temperature

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Yihan Wang, Tianmin Shao
Journal: The Journal of Chemical Physics
J. Chem. Phys. 161, 054503 (2024)
https://doi.org/10.1063/5.0210714
Published: August 2024
View articletitled, Evolution of liquid phase during homogenous non-equilibrium melting of Ta at superheating temperature
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Journal Articles

Enhancing (quasi-)long-range order in a two-dimensional driven crystal

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R. Maire, A. Plati
Journal: The Journal of Chemical Physics
J. Chem. Phys. 161, 054902 (2024)
https://doi.org/10.1063/5.0217958
Published: August 2024
View articletitled, Enhancing (quasi-)long-range order in a two-dimensional driven crystal
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Journal Articles

Symmetry breaking charge transfer and control of the transition dipole moment in excited octupolar molecules

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Nikolay B. Siplivy, Anatoly I. Ivanov
Journal: The Journal of Chemical Physics
J. Chem. Phys. 160, 194302 (2024)
https://doi.org/10.1063/5.0211030
Published: May 2024
View articletitled, Symmetry breaking charge transfer and control of the transition dipole moment in excited octupolar molecules
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Journal Articles

Translocation of two-dimensional active polymers through nanopores using Langevin dynamics simulations

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Han-Xian Hu, Yi-Fan Shen, Meng-Bo Luo
Journal: The Journal of Chemical Physics
J. Chem. Phys. 160, 184902 (2024)
https://doi.org/10.1063/5.0204321
Published: May 2024
View articletitled, Translocation of two-dimensional active polymers through nanopores using Langevin dynamics simulations
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Includes: Supplementary data
Journal Articles

Measuring friction from simulations of folded graphene sheets

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Charlie M. Rawlins, Gareth A. Tribello
Journal: The Journal of Chemical Physics
J. Chem. Phys. 160, 174112 (2024)
https://doi.org/10.1063/5.0203397
Published: May 2024
View articletitled, Measuring friction from simulations of folded graphene sheets
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Journal Articles

Comparative analysis of surface phase diagrams in aqueous environment: Implicit vs explicit solvation models

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Jing Yang, Mira Todorova, Jörg Neugebauer
Journal: The Journal of Chemical Physics
J. Chem. Phys. 160, 164715 (2024)
https://doi.org/10.1063/5.0190304
Published: April 2024
View articletitled, Comparative analysis of surface phase diagrams in aqueous environment: Implicit vs explicit solvation models
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Includes: Supplementary data
Journal Articles

Impact of large A-site cations on electron–vibrational interactions in 2D halide perovskites: Ab initio quantum dynamics

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Dandan Dai, Sraddha Agrawal, Oleg V. Prezhdo, Run Long
Journal: The Journal of Chemical Physics
J. Chem. Phys. 160, 114704 (2024)
https://doi.org/10.1063/5.0202251
Published: March 2024
View articletitled, Impact of large A-site cations on electron–vibrational interactions in 2D halide perovskites: Ab initio quantum dynamics
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