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| Design of CuCs-doped Ag-based catalyst for ethylene epoxidation
Qi-xing Wen, Haoxiang Xu, Yang Nan, Yuan Xie, and Daojian Cheng Chinese Journal of Chemical Physics 35, 589 (2022) Read the article → | | | | Reaction mechanism of one-step conversion of ethanol to 1,3-butadiene over Zn-Y/BEA and superior catalysts screening
Shu-Xuan Dang, Han-Xuan Liu, Tao Ban, Xin Gao, Zheng-Qing Huang, Dong-Yuan Yang, and Chun-Ran Chang Chinese Journal of Chemical Physics 35, 600 (2022) Read the article → | | | |
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| Dehydroxylation of glycerol on Pt surfaces: ab initio molecular dynamics study
Jiaxuan Xie, Jian Liu, and Bo Yang Chinese Journal of Chemical Physics 35, 611 (2022) Read the article → | | | | Understanding the effect of the exchange-correlation functionals on methane and ethane formation over ruthenium catalysts
Chen Chen, Minzhen Jian, Jin-Xun Liu, and Wei-Xue Li Chinese Journal of Chemical Physics 35, 619 (2022) Read the article → | | | | Dynamic simulation on surface hydration and dehydration of monoclinic zirconia
Guang-Jie Xia, and Yang-Gang Wang Chinese Journal of Chemical Physics 35, 629 (2022) Read the article → | | | | DFT study on the catalytic role of α-MoC(100) in methanol steam reforming
Juan Li, Qiang Wan, Guizhu Lin, and Sen Lin Chinese Journal of Chemical Physics 35, 639 (2022) Read the article → | | | | Substituent effects on the photocatalytic properties of a symmetric covalent organic framework
Ting-Ting Liu, Xin-Ping Wu, and Xue-Qing Gong Chinese Journal of Chemical Physics 35, 647 (2022) Read the article → | | | | Insights into syngas to methanol conversion on Cr2O3 oxide from first-principles-based microkinetic simulations
Wen-De Hu, Jun Ke, Yang-Dong Wang, Chuan-Ming Wang, and Wei-Min Yang Chinese Journal of Chemical Physics 35, 655 (2022) Read the article → | | | | | | | | Theoretical studies on the reaction kinetics of methyl 2-furoate with hydroxyl radical
Wei He, Jing Lu, Li-dong Zhang, Jing Liu, and Li-xia Wei Chinese Journal of Chemical Physics 35, 664 (2022) Read the article → | | | | Mechanistic investigation on rhodium(III)-catalyzed cycloaddition of 2-vinylphenol derivatives with ethyne or carbon monoxide by DFT study
Xing-hui Zhang, Xi Wu, and Hai-xiong Shi Chinese Journal of Chemical Physics 35, 685 (2022) Read the article → | | | | Design and selection of high energy materials based on 4,8-dihydrodifurazano[3,4-b,e]pyrazine
Xing-hui Jin, Lu-hao Liu, Jian-hua Zhou, and Bing-cheng Hu Chinese Journal of Chemical Physics 35, 705 (2022) Read the article → | | | | | | | | Influence of C, N, O impurity atoms and free volume on the migration velocity of tilt boundaries in nickel: Molecular dynamics simulation
Gennady Poletaev, and Roman Rakitin AIP Conference Proceedings 2533, 020003 (2022) Read the article → | | | | Ab initio simulation of graphane polymorphs
Maxim E. Belenkov, and Vladimir M. Chernov AIP Conference Proceedings 2533, 020004 (2022) Read the article → | | | | Effective interatomic potential for modelling shock waves in carbon nanotube bundles
Sergey V. Dmitriev, and Denis I. Borisov AIP Conference Proceedings 2533, 020005 (2022) Read the article → | | | | Deformation mechanisms of tubulanes under hydrostatic tension
Leysan Galiakhmetova, Polina Polyakova, and Ramil Murzaev AIP Conference Proceedings 2533, 020007 (2022) Read the article → | | | | Dislocation dipole movement in graphene at finite temperatures: Molecular dynamics study
Leysan Galiakhmetova, Karina Krylova, and Igor Kosarev AIP Conference Proceedings 2533, 020015 (2022) Read the article → | | | | Structure and electronic properties of 5-7c graphyne polymorphs
Viktor V. Mavrinskii, and Evgeny A. Belenkov AIP Conference Proceedings 2533, 020021 (2022) Read the article → | | | | Nonlinear motion-induced anisotropy in FCC Cu
A. Y. Morkina, A. S. Semenov, and E. A. Korznikova AIP Conference Proceedings 2533, 020023 (2022) Read the article → | | | | Monte Carlo simulation of diffusion in ternary alloys based on fcc lattice
Albert R. Khalikov, Vener A. Valitov, and Sergey V. Dmitriev AIP Conference Proceedings 2533, 020024 (2022) Read the article → | | | | Molecular dynamics analysis of the lattice expansion of Al induced by solid solution of Zr
R. M. Murzaev, I. I. Tuvalev, K. Edalati, and N. A. Enikeev AIP Conference Proceedings 2533, 020026 (2022) Read the article → | | | | Delocalized nonlinear vibrational modes in Fermi-Pasta-Ulam triangular lattice with an on-site potential
Leysan Galiakhmetova, and Alexander Semenov AIP Conference Proceedings 2533, 020028 (2022) Read the article → | | | | Simulation of scattering processes of nitrogen atoms on C60 fullerenes
D. Alyabev, I. Yadgarov, and L. Galiakhmetova AIP Conference Proceedings 2533, 020030 (2022) Read the article → | | | | Effect of interatomic potentials on dynamics of supersonic 2-crowdions in tungsten
Ayrat M. Bayazitov, Ramil T. Murzaev, and Yuri V. Bebikhov AIP Conference Proceedings 2533, 020032 (2022) Read the article → | | | |
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| Excitation of solitary waves in Pt3Al intermetallic compound under AC driving
Pavel V. Zakharov, Mikhail D. Starostenkov, Alexander M. Eremin, Sergey V. Dmitriev, Yuliya V. Sharapova, and Elena A. Korznikova AIP Conference Proceedings 2533, 020033 (2022) Read the article → | | | | Effect of boron amorphizing additive on the energy properties of metal doped pyrolyzed polyacrylonitrile models
D. P. Radchenko, I. V. Zaporotskova, O. A. Kakorina, and M. F. Chesheva AIP Conference Proceedings 2533, 020037 (2022) Read the article → | | | | Thermomechanical properties of carbon nanotube forest
Leysan Galiakhmetova, Olga Andrukhova, Andrey Ovcharov, and Sergey Dmitriev AIP Conference Proceedings 2533, 020052 (2022) Read the article → | | | | | | | | | | | | The initial boundary value problem for the Vlasov–Poisson–Fokker–Planck system
Xuan Ma, and Fuli He J. Math. Phys. 63, 091506 (2022) Read the article → | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | Interaction of molecular nitrogen with vanadium oxide in the absence and presence of water vapor at room temperature: Near-ambient pressure XPS
K. Balogun, P. Chukwunenye, F. Anwar, A. Ganesan, Q. Adesope, D. Willadsen, S. Nemšák, T. R. Cundari, P. S. Bagus, F. D’Souza, and J. A. Kelber J. Chem. Phys. 157, 104701 (2022) Read the article → |
| | | | | | | | | | | | | | | | | | | | | | | | | | | | | Role of defects in ultra-high gain in fast planar tin gallium oxide UV-C photodetector by MBE
Partha Mukhopadhyay, Isa Hatipoglu, Ymir K. Frodason, Joel B. Varley, Martin S. Williams, Daniel A. Hunter, Naresh K. Gunasekar, Paul R. Edwards, Robert W. Martin, Feng Wu, Akhil Mauze, James S. Speck, and Winston V. Schoenfeld Appl. Phys. Lett. 121, 111105 (2022) Read the article → |
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