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Journal Articles

Magnetic properties and spin–spin interaction in nitrogen-doped fullerene nanostructures

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Arkamita Bandyopadhyay, Jamal Berakdar
Journal: The Journal of Chemical Physics
J. Chem. Phys. 163, 014308 (2025)
https://doi.org/10.1063/5.0268986
Published: July 2025
View article titled, Magnetic properties and spin–spin interaction in nitrogen-doped fullerene nanostructures
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Journal Articles

Hybridization and coherence in subshell differential intercluster plasmonic decay in Na20@C240

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Rasheed Shaik, Hari R. Varma, Mohamed El-Amine Madjet, Fulu Zheng, Himadri S. Chakraborty
Journal: The Journal of Chemical Physics
J. Chem. Phys. 162, 244305 (2025)
https://doi.org/10.1063/5.0267528
Published: June 2025
View article titled, Hybridization and coherence in subshell differential intercluster plasmonic decay in Na20@C240
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Journal Articles

Excited-state decay dynamics of endohedral metal–metal-bonding fullerenes

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Chenkai Zhang, Dong Liu, Tao Yang
Journal: The Journal of Chemical Physics
J. Chem. Phys. 162, 224304 (2025)
https://doi.org/10.1063/5.0270342
Published: June 2025
View article titled, Excited-state decay dynamics of endohedral metal–metal-bonding fullerenes
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Journal Articles

Non-adiabatic dynamics simulations reveal the reversal of photoinduced electron transfer in zinc phthalocyanine/endohedral metallofullerene donor–acceptor complexes via substitution and solvent effects

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Xin Wei, Gao-Yi Li, Si-Yu Xiong, Yan Zheng, Laicai Li, Ganglong Cui, Xiang-Yang Liu
Journal: The Journal of Chemical Physics
J. Chem. Phys. 162, 224702 (2025)
https://doi.org/10.1063/5.0272410
Published: June 2025
View article titled, Non-adiabatic dynamics simulations reveal the reversal of photoinduced electron transfer in zinc phthalocyanine/endohedral metallofullerene donor–acceptor complexes via substitution and solvent effects
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Journal Articles

Formation of composite C60-perylene layers on a silver substrate

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Yimin Guan, Kirill Bobrov, Laurent Guillemot
Journal: The Journal of Chemical Physics
J. Chem. Phys. 162, 204701 (2025)
https://doi.org/10.1063/5.0267397
Published: May 2025
View article titled, Formation of composite C60-perylene layers on a silver substrate
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Journal Articles

Electronic structure of graphene films prepared from water dispersions and their energy level alignments with organic semiconductors

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Woojin Shin, Seungsun Choi, Jooyeon Moon, Hyunbok Lee
Journal: The Journal of Chemical Physics
J. Chem. Phys. 162, 164703 (2025)
https://doi.org/10.1063/5.0251411
Published: April 2025
View article titled, Electronic structure of graphene films prepared from water dispersions and their energy level alignments with organic semiconductors
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Journal Articles

A simple confined rotor model to describe the ro-translational dynamics of water endofullerenes and to assign the ro-vibrational spectra of solid H2O@C60

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T. Putaud, J.-C. Chartrand, Y. Kalugina, X. Michaut, P.-N. Roy, P. Ayotte
Journal: The Journal of Chemical Physics
J. Chem. Phys. 162, 144313 (2025)
https://doi.org/10.1063/5.0253540
Published: April 2025
View article titled, A simple confined rotor model to describe the ro-translational dynamics of water endofullerenes and to assign the ro-vibrational spectra of solid H2O@C60
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Journal Articles

Exploring superconductivity under strong coupling with the vacuum electromagnetic field

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A. Thomas, E. Devaux, K. Nagarajan, T. Chervy, M. Seidel, G. Rogez, J. Robert, M. Drillon, T. T. Ruan, S. Schlittenhardt, M. Ruben, D. Hagenmüller, S. Schütz, J. Schachenmayer, C. Genet, G. Pupillo, T. W. Ebbesen
Journal: The Journal of Chemical Physics
J. Chem. Phys. 162, 134701 (2025)
https://doi.org/10.1063/5.0231202
Published: April 2025
View article titled, Exploring superconductivity under strong coupling with the vacuum electromagnetic field
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Journal Articles

Radical scavenging rate constants determined by spin relaxation times of electron spin polarized radicals as measured by free induction decay signals

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Hiroki Hirano, Ai Nagata, Kaito Marumo, Hirona Takahashi, Ikuo Nakanishi, Akio Kawai
Journal: The Journal of Chemical Physics
J. Chem. Phys. 162, 124707 (2025)
https://doi.org/10.1063/5.0251604
Published: March 2025
View article titled, Radical scavenging rate constants determined by spin relaxation times of electron spin polarized radicals as measured by free induction decay signals
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Journal Articles

Noncovalent interactions and properties of host–guest systems based on C82/C82Gd bucky-balls and symmetry broken nanohoop TP-[11]CPP

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Yanzhi Liu, Wenbo Zhang, Mengyang Li, Yaoxiao Zhao, Xiang Zhao, Kun Yuan
Journal: The Journal of Chemical Physics
J. Chem. Phys. 162, 094303 (2025)
https://doi.org/10.1063/5.0255637
Published: March 2025
View article titled, Noncovalent interactions and properties of host–guest systems based on C82/C82Gd bucky-balls and symmetry broken nanohoop TP-[11]CPP
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Journal Articles

Supercarbon assembly inspired two-dimensional hourglass fermion

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Mo Xiong, Tao Yang
Journal: The Journal of Chemical Physics
J. Chem. Phys. 162, 024301 (2025)
https://doi.org/10.1063/5.0242012
Published: January 2025
View article titled, Supercarbon assembly inspired two-dimensional hourglass fermion
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Journal Articles

Out-of-phase ELDOR spectroscopy: A precise tool for investigating structure and dynamics of charge-transfer states in organic photovoltaic blends

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Alexander A. Popov, Ekaterina A. Lukina, Edward J. Reijerse, Wolfgang Lubitz, Leonid V. Kulik
Journal: The Journal of Chemical Physics
J. Chem. Phys. 162, 014201 (2025)
https://doi.org/10.1063/5.0242543
Published: January 2025
View article titled, Out-of-phase ELDOR spectroscopy: A precise tool for investigating structure and dynamics of charge-transfer states in organic photovoltaic blends
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Journal Articles

Endohedral vs exohedral boron in C60: Bonding nature and impact on hot-electron relaxation dynamics

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Jianzhi Xu, Zhi-Xin Guo, Gao-Lei Hou
Journal: The Journal of Chemical Physics
J. Chem. Phys. 162, 014301 (2025)
https://doi.org/10.1063/5.0246447
Published: January 2025
View article titled, Endohedral vs exohedral boron in C60: Bonding nature and impact on hot-electron relaxation dynamics
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Journal Articles

Decomposition of friction coefficients to analyze hydration effects on a C60(OH)n

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Tomoya Iwashita, Yuki Uematsu, Masahide Terazima, Ryo Akiyama
Journal: The Journal of Chemical Physics
J. Chem. Phys. 161, 244907 (2024)
https://doi.org/10.1063/5.0241914
Published: December 2024
View article titled, Decomposition of friction coefficients to analyze hydration effects on a C60(OH)n
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Journal Articles

Transient charge carrier dynamics in organic solar cell devices studied by simultaneous optical and electric detection

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Tomoaki Miura, Naoya Muramatsu, Tomoaki Takeuchi, Kazuhiko Seki, Tadaaki Ikoma
Journal: The Journal of Chemical Physics
J. Chem. Phys. 161, 241101 (2024)
https://doi.org/10.1063/5.0245921
Published: December 2024
View article titled, Transient charge carrier dynamics in organic solar cell devices studied by simultaneous optical and electric detection
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Journal Articles

Helium roaming in excess electrons in C60F60 as dynamic quasi-Matryoshka dolls

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Yang Liu, Shanshan Feng, Yuxiang Bu
Journal: The Journal of Chemical Physics
J. Chem. Phys. 161, 154302 (2024)
https://doi.org/10.1063/5.0224890
Published: October 2024
View article titled, Helium roaming in excess electrons in C60F60 as dynamic quasi-Matryoshka dolls
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Journal Articles

Endohedral metallofullerenes as nanoreactors: Regulating the ring-opening reaction of m-xylene at a molecular level under pressure

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Ying Zhang, Shuang Liu, Si Yin, Xiu Yin, Lei Yue, Ran Liu, Bo Liu, Jiajun Dong, Xing Lu, Mingguang Yao, Wangqiang Shen, Bingbing Liu
Journal: The Journal of Chemical Physics
J. Chem. Phys. 161, 124306 (2024)
https://doi.org/10.1063/5.0223053
Published: September 2024
View article titled, Endohedral metallofullerenes as nanoreactors: Regulating the ring-opening reaction of m-xylene at a molecular level under pressure
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Journal Articles

Pressure and temperature diagram of C60 from atomistic simulations

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Karim Hakim, Romain Dupuis, Christophe Bichara, Roland J.-M. Pellenq
Journal: The Journal of Chemical Physics
J. Chem. Phys. 161, 094501 (2024)
https://doi.org/10.1063/5.0213022
Published: September 2024
View article titled, Pressure and temperature diagram of C60 from atomistic simulations
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Journal Articles

Open-cage metallo-azafullerenes as efficient single-atom catalysts toward oxygen reduction reaction

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Haiyang Gao, Hairui Cai, Gege Yang, Jian Zhao, Xuning Li, Shengchun Yang, Tao Yang
Journal: The Journal of Chemical Physics
J. Chem. Phys. 161, 074301 (2024)
https://doi.org/10.1063/5.0221699
Published: August 2024
View article titled, Open-cage metallo-azafullerenes as efficient single-atom catalysts toward oxygen reduction reaction
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Journal Articles

Assessing the domain-based local pair natural orbital (DLPNO) approximation for non-covalent interactions in sizable supramolecular complexes

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Montgomery Gray, John M. Herbert
Journal: The Journal of Chemical Physics
J. Chem. Phys. 161, 054114 (2024)
https://doi.org/10.1063/5.0206533
Published: August 2024
View article titled, Assessing the domain-based local pair natural orbital (DLPNO) approximation for non-covalent interactions in sizable supramolecular complexes
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