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Journal Articles

Polarization-dependent photoemission electron microscopy for domain imaging of inorganic and molecular materials

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Atreyie Ghosh, Joseph L. Spellberg, Sarah B. King
Journal: The Journal of Chemical Physics
J. Chem. Phys. 161, 110901 (2024)
https://doi.org/10.1063/5.0225765
Published: September 2024
View article titled, Polarization-dependent photoemission electron microscopy for domain imaging of inorganic and molecular materials
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Journal Articles

Photoionization of aziridine: Nonadiabatic dynamics of the first six low-lying electronic states of the aziridine radical cation

Vadala Jhansi Rani, Arun Kumar Kanakati, S. Mahapatra
Journal: The Journal of Chemical Physics
J. Chem. Phys. 161, 094302 (2024)
https://doi.org/10.1063/5.0215910
Published: September 2024
View article titled, Photoionization of aziridine: Nonadiabatic dynamics of the first six low-lying electronic states of the aziridine radical cation
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Journal Articles

On selection rules in two-dimensional terahertz–infrared–visible spectroscopy

Pankaj Seliya, Mischa Bonn, Maksim Grechko
Journal: The Journal of Chemical Physics
J. Chem. Phys. 160, 034201 (2024)
https://doi.org/10.1063/5.0179041
Published: January 2024
View article titled, On selection rules in two-dimensional terahertz–infrared–visible spectroscopy
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Journal Articles

Magnetic dipole and quadrupole transitions in the ν2 + ν3 vibrational band of carbon dioxide

Daniil N. Chistikov
Journal: The Journal of Chemical Physics
J. Chem. Phys. 158, 134307 (2023)
https://doi.org/10.1063/5.0144201
Published: April 2023
View article titled, Magnetic dipole and quadrupole transitions in the <em>ν</em><sub>2</sub> + <em>ν</em><sub>3</sub> vibrational band of carbon dioxide
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Includes: Supplementary data
Journal Articles

On the unusual Stokes shift in the smallest PPE dendrimer building block: Role of the vibronic symmetry on the band origin?

Joachim Galiana, Benjamin Lasorne
Journal: The Journal of Chemical Physics
J. Chem. Phys. 158, 124113 (2023)
https://doi.org/10.1063/5.0141352
Published: March 2023
View article titled, On the unusual Stokes shift in the smallest PPE dendrimer building block: Role of the vibronic symmetry on the band origin?
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Includes: Supplementary data
Journal Articles

Elucidation of vibronic structure and dynamics of first eight excited electronic states of pentafluorobenzene

Arun Kumar Kanakati, Vadala Jhansi Rani, Rudraditya Sarkar, S. Mahapatra
Journal: The Journal of Chemical Physics
J. Chem. Phys. 157, 204304 (2022)
https://doi.org/10.1063/5.0115561
Published: November 2022
View article titled, Elucidation of vibronic structure and dynamics of first eight excited electronic states of pentafluorobenzene
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Includes: Supplementary data
Journal Articles

Koopmans’ theorem and selection rules for one-electron ionization processes in orbitally degenerate systems

Boris N. Plakhutin
Journal: The Journal of Chemical Physics
J. Chem. Phys. 157, 174103 (2022)
https://doi.org/10.1063/5.0110124
Published: November 2022
View article titled, Koopmans’ theorem and selection rules for one-electron ionization processes in orbitally degenerate systems
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Journal Articles

High-frequency limit of spectroscopy

Vladimir U. Nazarov, Roi Baer
Journal: The Journal of Chemical Physics
J. Chem. Phys. 157, 084112 (2022)
https://doi.org/10.1063/5.0100317
Published: August 2022
View article titled, High-frequency limit of spectroscopy
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Includes: Supplementary data
Journal Articles

Rovibrational investigation of a new high-lying u + state of Cu2 by using two-color resonant four-wave-mixing spectroscopy

Jiaye Jin, Qiang Zhang, Peter Bornhauser, Gregor Knopp, Roberto Marquardt, Peter P. Radi
Journal: The Journal of Chemical Physics
J. Chem. Phys. 156, 184305 (2022)
https://doi.org/10.1063/5.0087743
Published: May 2022
View article titled, Rovibrational investigation of a new high-lying u + state of Cu<sub>2</sub> by using two-color resonant four-wave-mixing spectroscopy
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Includes: Supplementary data
Journal Articles

Probing chirality across the electromagnetic spectrum with the full semi-classical light–matter interaction

Martin van Horn, Trond Saue, Nanna Holmgaard List
Journal: The Journal of Chemical Physics
J. Chem. Phys. 156, 054113 (2022)
https://doi.org/10.1063/5.0077502
Published: February 2022
View article titled, Probing chirality across the electromagnetic spectrum with the full semi-classical light–matter interaction
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Includes: Supplementary data
Journal Articles

Observation of the plasmon mode transition from triangular to hexagonal nanoplates

Keisuke Imaeda, Seiju Hasegawa, Kohei Imura
Journal: The Journal of Chemical Physics
J. Chem. Phys. 156, 044702 (2022)
https://doi.org/10.1063/5.0078371
Published: January 2022
View article titled, Observation of the plasmon mode transition from triangular to hexagonal nanoplates
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Includes: Supplementary data
Journal Articles

Vibronic coupling in the first six electronic states of pentafluorobenzene radical cation: Radiative emission and nonradiative decay

Arun Kumar Kanakati, S. Mahapatra
Journal: The Journal of Chemical Physics
J. Chem. Phys. 154, 054313 (2021)
https://doi.org/10.1063/5.0039923
Published: February 2021
View article titled, Vibronic coupling in the first six electronic states of pentafluorobenzene radical cation: Radiative emission and nonradiative decay
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Includes: Supplementary data
Journal Articles

Theoretical method for near-field Raman spectroscopy with multipolar Hamiltonian and real-time-TDDFT: Application to on- and off-resonance tip-enhanced Raman spectroscopy

Masato Takenaka, Tetsuya Taketsugu, Takeshi Iwasa
Journal: The Journal of Chemical Physics
J. Chem. Phys. 154, 024104 (2021)
https://doi.org/10.1063/5.0034933
Published: January 2021
View article titled, Theoretical method for near-field Raman spectroscopy with multipolar Hamiltonian and real-time-TDDFT: Application to on- and off-resonance tip-enhanced Raman spectroscopy
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Journal Articles

Excitation wavelength-dependent SERS and DFT study to probe Herzberg–Teller selection rules on charge-transfer effect

Om Prakash
Journal: The Journal of Chemical Physics
J. Chem. Phys. 153, 104703 (2020)
https://doi.org/10.1063/5.0022880
Published: September 2020
View article titled, Excitation wavelength-dependent SERS and DFT study to probe Herzberg–Teller selection rules on charge-transfer effect
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Includes: Supplementary data
Journal Articles

Multiple ESIPT pathways originating from three-state conical intersections in tropolone

Probal Nag, Sivaranjana Reddy Vennapusa
Journal: The Journal of Chemical Physics
J. Chem. Phys. 153, 084306 (2020)
https://doi.org/10.1063/5.0020132
Published: August 2020
View article titled, Multiple ESIPT pathways originating from three-state conical intersections in tropolone
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Includes: Supplementary data
Journal Articles

Infrared active surface modes found in thin films of perfluoroalkanes reveal the dipole–dipole interaction and surface morphology

Aki Fukumi, Takafumi Shimoaka, Nobutaka Shioya, Naoto Nagai, Takeshi Hasegawa
Journal: The Journal of Chemical Physics
J. Chem. Phys. 153, 044703 (2020)
https://doi.org/10.1063/5.0012910
Published: July 2020
View article titled, Infrared active surface modes found in thin films of perfluoroalkanes reveal the dipole–dipole interaction and surface morphology
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Journal Articles

Hyper-Raman spectroscopy of polar liquids excited at 1064 nm: Acetone, acetonitrile, chloroform, and dimethyl sulfoxide

Masanari Okuno (奥野将成)
Journal: The Journal of Chemical Physics
J. Chem. Phys. 152, 174202 (2020)
https://doi.org/10.1063/5.0004755
Published: May 2020
View article titled, Hyper-Raman spectroscopy of polar liquids excited at 1064 nm: Acetone, acetonitrile, chloroform, and dimethyl sulfoxide
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Journal Articles

Comparing the excited-state properties of a mixed-cation–mixed-halide perovskite to methylammonium lead iodide

Jan C. Brauer, Demetra Tsokkou, Sandy Sanchez, Nikolaos Droseros, Bart Roose, Edoardo Mosconi, Xiao Hua, Martin Stolterfoht, Dieter Neher, Ullrich Steiner, Filippo De Angelis, Antonio Abate, Natalie Banerji
Journal: The Journal of Chemical Physics
J. Chem. Phys. 152, 104703 (2020)
https://doi.org/10.1063/1.5133021
Published: March 2020
View article titled, Comparing the excited-state properties of a mixed-cation–mixed-halide perovskite to methylammonium lead iodide
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Includes: Supplementary data
Journal Articles

Rotational-permutational dual-pairing and long-lived spin order

C. Bengs
Journal: The Journal of Chemical Physics
J. Chem. Phys. 152, 054106 (2020)
https://doi.org/10.1063/1.5140186
Published: February 2020
View article titled, Rotational-permutational dual-pairing and long-lived spin order
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Includes: Supplementary data
Journal Articles

Photoselective MLCT to d-d pathways for light-induced excited spin state trapping

S. Zerdane, M. Cammarata, O. Iasco, M.-L. Boillot, E. Collet
Journal: The Journal of Chemical Physics
J. Chem. Phys. 151, 171101 (2019)
https://doi.org/10.1063/1.5127507
Published: November 2019
View article titled, Photoselective MLCT to d-d pathways for light-induced excited spin state trapping
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