A Model DMMP/TiO2 (110) Intermolecular Potential Energy Function Developed from ab Initio Calculations-Reference-Cited by-同舟云学术

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A Model DMMP/TiO2 (110) Intermolecular Potential Energy Function Developed from ab Initio Calculations

Published:2011-06-02 Issue:25 Volume:115 Page:12403-12413
ISSN:1932-7447
Container-title:The Journal of Physical Chemistry C
language:en
Short-container-title:J. Phys. Chem. C

Author:

Yang Li¹,Taylor Ramona²,de Jong Wibe A.³,Hase William L.¹

Affiliation:

1. Department of Chemistry and Biochemistry, Texas Tech University, Lubbock, Texas 79409-1061, United States

2. Spectral Sciences, Incorporated, 4 Fourth Avenue, Burlington, Massachusetts 01803-3304, United States

3. EMSL, Pacific Northwest National Laboratory, Richland, Washington 99352, United States

Publisher

American Chemical Society (ACS)

Subject

Surfaces, Coatings and Films,Physical and Theoretical Chemistry,General Energy,Electronic, Optical and Magnetic Materials

Link

https://pubs.acs.org/doi/pdf/10.1021/jp1112137

Reference59 articles.

1. Decomposition of Dimethyl Methylphosphonate (DMMP) on Supported Cerium and Iron Co-Impregnated Oxides at Room Temperature

2. Photoassisted Decomposition of Dimethyl Methylphosphonate over Amorphous Manganese Oxide Catalysts

3. Adsorption and decomposition of dimethyl methylphosphonate on platinum(111).

4. Separation of Chemical Warfare Agent Degradation Products by the Reversal of Electroosmotic Flow in Capillary Electrophoresis

5. Adsorption and Thermal Reaction of DMMP in Nanocrystalline NaY

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2. Detection and Correction of Delocalization Errors for Electron and Hole Polarons Using Density-Corrected DFT;The Journal of Physical Chemistry Letters;2022-06-08

3. Oxidative decomposition of dimethyl methylphosphonate on rutile TiO₂(110): the role of oxygen vacancies;Physical Chemistry Chemical Physics;2022

4. Theoretical study of gas-phase detoxication of DMMP and DMPT using ammonia-borane and its analogous compound;Journal of Molecular Graphics and Modelling;2021-12

5. Ultraviolet and infrared light decontamination and the secondary pollution products of G-series nerve agent simulant model molecules contaminating TiO2/Ti surfaces;Journal of Industrial and Engineering Chemistry;2021-08

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