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RESEARCH PAPER · Inorganic Chemistry · 2006

An ab Initio Molecular Dynamics and Density Functional Theory Study of the Formation of Phosphate Chains from Metathiophosphates

Nicholas J. Mosey, Tom K. Woo

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16 direct citing papers in this saved network. Explore the next layer with second-order citations.

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An ab Initio Molecular Dynamics and Density Functional Theory Study of the Formation of Phosphate Chains from MetathiophosphatesOriginalZinc phosphate chain length study under high hydrostatic pressure by Raman spectroscopy31A Theoretical Study of Dynamic Behavior of Diphenyldisulphide Molecule on Fe Surface: Novel Ultra-Accelerated Quantum Chemical Molecular Dynamics Approach15Boundary Lubrication by Pure Crystalline Zinc Orthophosphate Powder in Oil16Development of a quantum chemical molecular dynamics tribochemical simulator and its application to tribochemical reaction dynamics of lubricant additives31Molecular dynamics simulations of lubricants and additives1Advances in nonequilibrium molecular dynamics simulations of lubricants and additives186Quantum approach to the mechanism of monothiopyrophosphate isomerization3Mechanisms of Pressure-Induced Structural Transformation in Confined Sodium Borate Glasses9Tribochemical Reaction on Alkali Phosphate Lubricant at Sliding Interface in Hot Rolling of Steel0Computational Tribochemistry: A Review from Classical and Quantum Mechanics Studies29Substituent effects on the mechanochemical response of zinc dialkyldithiophosphate21Substituent Control of Tribofilm Growth under Mechanochemical Conditions0Substituent Control of Tribofilm Growth under Mechanochemical Conditions0Recent Advancements in Understanding of Growth and Properties of Antiwear Tribofilms Derived from Zinc Dialkyl Dithiophosphate Additives under Nanoscale Sliding Contacts11Mechanisms of ZDDP—An Update72Unraveling the Atomistic Mechanisms Underlying the Antiwear Function of the ZDDP Lubricant Additive by Machine-Learning-Informed Molecular Dynamics0

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  1. Zinc phosphate chain length study under high hydrostatic pressure by Raman spectroscopy

    Journal of Applied Physics · 2007-03-15

    M. Gauvin, Fabrice Dassenoy, C. Minfray, Jean Michel Martin, Gilles Montagnac, Bruno Reynard

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  2. A Theoretical Study of Dynamic Behavior of Diphenyldisulphide Molecule on Fe Surface: Novel Ultra-Accelerated Quantum Chemical Molecular Dynamics Approach

    Tribology online · 2008-01-01

    Akira Endou, Tasuku Onodera, Sayaka Nara, Ai Suzuki, Michihisa Koyama, Hideyuki Tsuboi, Nozomu Hatakeyama, Hiromitsu Takaba, Carlos Adriel Del Carpio, Momoji Kubo, Akira Miyamoto

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  3. Boundary Lubrication by Pure Crystalline Zinc Orthophosphate Powder in Oil

    Tribology Letters · 2008-08-05

    M. Gauvin, Fabrice Dassenoy, M. Belin, C. Minfray, C. Guerret-Piécourt, Sandrine Bec, Jean‐Michel Martin, Gilles Montagnac, Bruno Reynard

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  4. Development of a quantum chemical molecular dynamics tribochemical simulator and its application to tribochemical reaction dynamics of lubricant additives

    Modelling and Simulation in Materials Science and Engineering · 2010-03-23

    Tasuku Onodera, Ryuji Miura, Akira Suzuki, H. Tsuboi, N. Hatakeyama, A. Endou, Hiromitsu Takaba, Momoji Kubo, Ayaho Miyamoto

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  5. Molecular dynamics simulations of lubricants and additives

    Unknown journal · 2017-11-01

    James Patrick Ewen

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  6. Advances in nonequilibrium molecular dynamics simulations of lubricants and additives

    Friction · 2018-02-12

    James Patrick Ewen, David M. Heyes, Daniele Dini

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  7. Quantum approach to the mechanism of monothiopyrophosphate isomerization

    Journal of Molecular Modeling · 2019-08-30

    Agata Paneth, Piotr Paneth

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  8. Mechanisms of Pressure-Induced Structural Transformation in Confined Sodium Borate Glasses

    The Journal of Physical Chemistry B · 2019-12-05

    Huong T. T. Ta, Anh Kiet Tieu, Hongtao Zhu, Haibo B. Yu, Nam V. Tran, Thi D. Ta

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  9. Tribochemical Reaction on Alkali Phosphate Lubricant at Sliding Interface in Hot Rolling of Steel

    Research Online (University of Wollongong) · 2020-01-01

    M.H. Le

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  10. Computational Tribochemistry: A Review from Classical and Quantum Mechanics Studies

    The Journal of Physical Chemistry C · 2021-08-03

    Huong T. T. Ta, Nam V. Tran, Anh Kiet Tieu, Hongtao Zhu, Haibo B. Yu, Thi D. Ta

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  11. Substituent effects on the mechanochemical response of zinc dialkyldithiophosphate

    Molecular Systems Design & Engineering · 2022-01-01

    Jie Zhang, James Patrick Ewen, Hugh A. Spikes

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  12. Substituent Control of Tribofilm Growth under Mechanochemical Conditions

    ChemRxiv · 2022-02-23

    Jie Zhang, James Patrick Ewen, Hugh A. Spikes

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  13. Substituent Control of Tribofilm Growth under Mechanochemical Conditions

    ChemRxiv · 2022-03-06

    Jie Zhang, James Patrick Ewen, Hugh A. Spikes

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  14. Recent Advancements in Understanding of Growth and Properties of Antiwear Tribofilms Derived from Zinc Dialkyl Dithiophosphate Additives under Nanoscale Sliding Contacts

    Langmuir · 2024-02-05

    Jitendra Soni, Nitya Nand Gosvami

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  15. Mechanisms of ZDDP—An Update

    Tribology Letters · 2025-02-12

    Hugh A. Spikes

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  16. Unraveling the Atomistic Mechanisms Underlying the Antiwear Function of the ZDDP Lubricant Additive by Machine-Learning-Informed Molecular Dynamics

    ACS Applied Materials & Interfaces · 2026-08-24

    Enrico Pedretti, Francesca Benini, Giovanni Gravili, Huong T. T. Ta, Maria Clelia Righi

    Read original paper ↗ ·
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