| 1 |
The promotion and stabilization effects of surface nitrogen containing groups of CNT on cu-based nanoparticles in the oxidative carbonylation reaction
Zhang GQ, Zhao D, Yan JF, Jia DS, Zheng HY, Mi J, Li Z
Applied Catalysis A: General, 579, 18, 2019 |
| 2 |
C-H versus O-H bond scission in methanol decomposition on Pt(111): Role of the dispersion interaction
Phan TLM, Vo DVN, Nguyen HNT, Pham-Tran NN
Applied Surface Science, 481, 1327, 2019 |
| 3 |
Dispersion Interaction and Crystal Packing Realize an Ultralong C-C Single Bond: A Theoretical Study on Dispirobis(10-methylacridan) Derivatives
Kuroda Y, Kobayashi M, Taketsugu T
Chemistry Letters, 48(2), 137, 2019 |
| 4 |
Wettability of rock, oil and brine system based on density functional theory
Barbosa NSV, Lima ERA, Tavares FW
Fluid Phase Equilibria, 479, 99, 2019 |
| 5 |
A possible reason behind the initial formation of pentagonal dodecahedron cavities in sI-methane hydrate nucleation: A DFT study
Mondal S, Goswami T, Jana G, Misra A, Chattaraj PK
Chemical Physics Letters, 691, 415, 2018 |
| 6 |
Molecular hydrogen sorption capacity of D-shwarzites
Krasnov PO, Shkaberina GS, Kuzubov AA, Kovaleva EA
Applied Surface Science, 416, 766, 2017 |
| 7 |
The growth pattern of Au-n (n=1-20) clusters absorbed on rutile TiO2 (110) surfaces
Ding RL, Jia JF, Wu HS
Applied Surface Science, 359, 729, 2015 |
| 8 |
Molecular dynamics simulation on volume swelling of CO2-alkane system
Liu B, Shi JQ, Sun BJ, Shen Y, Zhang J, Chen X, Wang MH
Fuel, 143, 194, 2015 |
| 9 |
The Direct Hydroxylation of Benzene to Phenol Catalyzed by Fe-ZSM-5 Zeolite: A DFT and Hybrid MP2:DFT Calculation
Yang ZW, Yang G, Liu XC, Han XW
Catalysis Letters, 143(3), 260, 2013 |
| 10 |
Implicit solvent model for effective molecular dynamics simulations of systems composed of colloid nanoparticles and carbon nanotubes
Panczyk T, Szabelski P, Drach M
Journal of Colloid and Interface Science, 383, 55, 2012 |
