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Journal Articles
Proposal of a reaction mechanism for the thermal carbonation of ethylene oxide by CO2 in ionic liquids
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Journal:
The Journal of Chemical Physics
J. Chem. Phys. 162, 234303 (2025)
Published: June 2025
Journal Articles
Higher order relationships in the canonical ensemble for local reactivity indices
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Journal:
The Journal of Chemical Physics
J. Chem. Phys. 162, 214102 (2025)
Published: June 2025
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Gold(I)–N–heterocyclic carbene hydration process; ab initio, DFT, and QM/MM molecular dynamics study
Open Access
Journal:
The Journal of Chemical Physics
J. Chem. Phys. 162, 214301 (2025)
Published: June 2025
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Mechanism of nitrous oxide (HONO) formation in D-layer of ionosphere
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Journal:
The Journal of Chemical Physics
J. Chem. Phys. 162, 194307 (2025)
Published: May 2025
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ReaxFF studies of surface fluorination of alumina and etching of alumina/aluminum metal heterostructures under gas-phase hydrogen fluoride exposure
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Journal:
The Journal of Chemical Physics
J. Chem. Phys. 162, 194708 (2025)
Published: May 2025
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Dynamics of sterically hindered F− + i-C3H7Cl reaction: An enhancement of indirect mechanisms
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Journal:
The Journal of Chemical Physics
J. Chem. Phys. 162, 184305 (2025)
Published: May 2025
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Hydrogen-atom-assisted thione–thiol tautomerization of thiourea derivatives in para-H2 matrix
Open Access
Journal:
The Journal of Chemical Physics
J. Chem. Phys. 162, 174306 (2025)
Published: May 2025
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An iterative and automatic collective variable optimization scheme via unsupervised feature selection with CUR matrix decomposition
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Journal:
The Journal of Chemical Physics
J. Chem. Phys. 162, 174101 (2025)
Published: May 2025
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Molecular dynamics simulations for enzymatic hydride-transfer reactions: Defining environmental reaction coordinates to capture transition state diversity
Available to PurchaseRafael García-Meseguer, Elise Duboué-Dijon, Sergio Martí, J. Javier Ruiz-Pernía, Damien Laage, Iñaki Tuñón, James T. Hynes
Journal:
The Journal of Chemical Physics
J. Chem. Phys. 162, 124118 (2025)
Published: March 2025
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Memory, hysteresis, and kinetic cooperativity in stochastic mnemonic networks
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Journal:
The Journal of Chemical Physics
J. Chem. Phys. 162, 125102 (2025)
Published: March 2025
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Journal Articles
An ab initio deep neural network potential to study the effect of density on the thermal decomposition mechanism of FOX-7
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Journal:
The Journal of Chemical Physics
J. Chem. Phys. 162, 114705 (2025)
Published: March 2025
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Electrostatic interactions in nucleosome and higher-order structures are regulated by protonation state of histone ionizable residue
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Journal:
The Journal of Chemical Physics
J. Chem. Phys. 162, 105101 (2025)
Published: March 2025
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Highly stable inverted perovskite solar cells with all-inorganic selective contact using iron-doped zinc oxide
Available to PurchaseLong Wang, Yufang Li, Honglie Shen, Lei Wang, Qichen Zhao, Jinjie Zheng, Hechao Li, Zhihong Xie, Andi Chen, Sijia Miao, Haibin Huang
Journal:
The Journal of Chemical Physics
J. Chem. Phys. 162, 094703 (2025)
Published: March 2025
Journal Articles
Journal Articles
Characterizing the photodissociation dynamics of HPCO in the S1 band
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Journal:
The Journal of Chemical Physics
J. Chem. Phys. 162, 074308 (2025)
Published: February 2025
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Transient Raman observation and bond properties of a mixed dihalide radical anion in water
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Journal:
The Journal of Chemical Physics
J. Chem. Phys. 162, 074303 (2025)
Published: February 2025
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Adsorption of methanol on cationic cobalt clusters in the gas phase
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Journal:
The Journal of Chemical Physics
J. Chem. Phys. 162, 074305 (2025)
Published: February 2025
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