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Analytical Form of the Fluorescence Correlation Spectroscopy Autocorrelation Function in Chemically Reactive Systems
Analytical Form of the Fluorescence Correlation Spectroscopy Autocorrelation Function in Chemically Reactive Systems
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Analytical Form of the Fluorescence Correlation Spectroscopy Autocorrelation Function in Chemically Reactive Systems

Poniewierski, Andrzej ; Hołyst, Robert

Journal of chemical theory and computation, 2024-04, Vol.20 (7), p.2830-2841 [Periódico revisado por pares]

United States: American Chemical Society

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2
Integrated Quantum-Classical Protocol for the Realistic Description of Solvated Multinuclear Mixed-Valence Transition-Metal Complexes and Their Solvatochromic Properties
Integrated Quantum-Classical Protocol for the Realistic Description of Solvated Multinuclear Mixed-Valence Transition-Metal Complexes and Their Solvatochromic Properties
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Integrated Quantum-Classical Protocol for the Realistic Description of Solvated Multinuclear Mixed-Valence Transition-Metal Complexes and Their Solvatochromic Properties

Prampolini, Giacomo ; Andersen, Amity ; Poulter, Benjamin I. ; Khalil, Munira ; Govind, Niranjan ; Biasin, Elisa ; Pastore, Mariachiara

Journal of chemical theory and computation, 2024-02, Vol.20 (3), p.1306-1323 [Periódico revisado por pares]

United States: American Chemical Society

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3
Vibrational Spectra of Highly Anharmonic Water Clusters: Molecular Dynamics and Harmonic Analysis Revisited with Constrained Nuclear-Electronic Orbital Methods
Vibrational Spectra of Highly Anharmonic Water Clusters: Molecular Dynamics and Harmonic Analysis Revisited with Constrained Nuclear-Electronic Orbital Methods
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Vibrational Spectra of Highly Anharmonic Water Clusters: Molecular Dynamics and Harmonic Analysis Revisited with Constrained Nuclear-Electronic Orbital Methods

Zhang, Yuzhe ; Wang, Yiwen ; Xu, Xi ; Chen, Zehua ; Yang, Yang

Journal of chemical theory and computation, 2023-12, Vol.19 (24), p.9358-9368 [Periódico revisado por pares]

United States: American Chemical Society

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4
Watching the Interplay between Photoinduced Ultrafast Charge Dynamics and Nuclear Vibrations
Watching the Interplay between Photoinduced Ultrafast Charge Dynamics and Nuclear Vibrations
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Watching the Interplay between Photoinduced Ultrafast Charge Dynamics and Nuclear Vibrations

Buttarazzi, Edoardo ; Perrella, Fulvio ; Rega, Nadia ; Petrone, Alessio

Journal of chemical theory and computation, 2023-12, Vol.19 (23), p.8751-8766 [Periódico revisado por pares]

United States: American Chemical Society

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5
Calibrating TDDFT Calculations of the X‑ray Emission Spectrum of Liquid Water: The Effects of Hartree–Fock Exchange
Calibrating TDDFT Calculations of the X‑ray Emission Spectrum of Liquid Water: The Effects of Hartree–Fock Exchange
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Calibrating TDDFT Calculations of the X‑ray Emission Spectrum of Liquid Water: The Effects of Hartree–Fock Exchange

Fransson, Thomas ; Pettersson, Lars G. M.

Journal of chemical theory and computation, 2023-10, Vol.19 (20), p.7333-7342 [Periódico revisado por pares]

Washington: American Chemical Society

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6
Thermo-Field Dynamics Approach to Photo-induced Electronic Transitions Driven by Incoherent Thermal Radiation
Thermo-Field Dynamics Approach to Photo-induced Electronic Transitions Driven by Incoherent Thermal Radiation
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Thermo-Field Dynamics Approach to Photo-induced Electronic Transitions Driven by Incoherent Thermal Radiation

Gelin, Maxim F. ; Borrelli, Raffaele

Journal of chemical theory and computation, 2023-09, Vol.19 (18), p.6402-6413 [Periódico revisado por pares]

Washington: American Chemical Society

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7
Quantum-Classical Protocol for Efficient Characterization of Absorption Lineshape and Fluorescence Quenching upon Aggregation: The Case of Zinc Phthalocyanine Dyes
Quantum-Classical Protocol for Efficient Characterization of Absorption Lineshape and Fluorescence Quenching upon Aggregation: The Case of Zinc Phthalocyanine Dyes
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Quantum-Classical Protocol for Efficient Characterization of Absorption Lineshape and Fluorescence Quenching upon Aggregation: The Case of Zinc Phthalocyanine Dyes

Aarabi, Mohammad ; Aranda, Daniel ; Gholami, Samira ; Meena, Santosh Kumar ; Lerouge, Frederic ; Bretonniere, Yann ; Gürol, Ilke ; Baldeck, Patrice ; Parola, Stephane ; Dumoulin, Fabienne ; Cerezo, Javier ; Garavelli, Marco ; Santoro, Fabrizio ; Rivalta, Ivan

Journal of chemical theory and computation, 2023-09, Vol.19 (17), p.5938-5957 [Periódico revisado por pares]

Washington: American Chemical Society

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8
Photo-Controlled Self-Assembly of Nanoparticles: A Promising Strategy for Development of Novel Structures
Photo-Controlled Self-Assembly of Nanoparticles: A Promising Strategy for Development of Novel Structures
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Photo-Controlled Self-Assembly of Nanoparticles: A Promising Strategy for Development of Novel Structures

Li, Juntan ; Jia, Xiaoyong

Nanomaterials (Basel, Switzerland), 2023-09, Vol.13 (18), p.2562 [Periódico revisado por pares]

Basel: MDPI AG

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9
The modification toward excited-state dynamics and catalytic activity by isomeric Au44 clusters
The modification toward excited-state dynamics and catalytic activity by isomeric Au44 clusters
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The modification toward excited-state dynamics and catalytic activity by isomeric Au44 clusters

Song, Tongxin ; Kong, Jie ; Tang, Shisi ; Cai, Xiao ; Liu, Xu ; Zhou, Meng ; Xu, Wen Wu ; Ding, Weiping ; Zhu, Yan

Nano research, 2023-08, Vol.16 (8), p.11383-11388 [Periódico revisado por pares]

Beijing: Tsinghua University Press

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10
Mechanochemistry toward Organic “Salt” via Integer‐Charge‐Transfer Cocrystal Strategy for Rapid, Efficient, and Scalable Near‐Infrared Photothermal Conversion
Mechanochemistry toward Organic “Salt” via Integer‐Charge‐Transfer Cocrystal Strategy for Rapid, Efficient, and Scalable Near‐Infrared Photothermal Conversion
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Mechanochemistry toward Organic “Salt” via Integer‐Charge‐Transfer Cocrystal Strategy for Rapid, Efficient, and Scalable Near‐Infrared Photothermal Conversion

Chen, Shun‐Li ; Zhang, Meng‐Meng ; Chen, Jiecheng ; Wen, Xinyi ; Chen, Wenbin ; Li, Jiayu ; Chen, Ye‐Tao ; Xiao, Yonghong ; Liu, Huifen ; Tan, Qianqian ; Zhu, Tangjun ; Ye, Bowei ; Yan, Jiajun ; Huang, Yihang ; Li, Jie ; Ni, Shaofei ; Dang, Li ; Li, Ming‐De

ChemSusChem, 2023-07, Vol.16 (14), p.e202300644-n/a [Periódico revisado por pares]

Germany: Wiley Subscription Services, Inc

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