| 1 |
Insights into sulfamethazine adsorption interfacial interaction mechanism on mesoporous cellulose biochar: Coupling DFT/FOT simulations with experiments
Chen Q, Zheng JW, Xu JC, Dang Z, Zhang LJ
Chemical Engineering Journal, 356, 341, 2019 |
| 2 |
Thermally Activated Delayed Fluorescent Polymers
Xie YJ, Li Z
Journal of Polymer Science Part A: Polymer Chemistry, 55(4), 575, 2017 |
| 3 |
Facile preparation of g-C3N4 modified BiOCl hybrid photocatalyst and vital role of frontier orbital energy levels of model compounds in photoactivity enhancement
Shi S, Gondal MA, Al-Saadi AA, Fajgar R, Kupcik J, Chang XF, Shen K, Xu QY, Seddigi ZS
Journal of Colloid and Interface Science, 416, 212, 2014 |
| 4 |
Comparison between theoretical and experimental electronic properties of some popular donor polymers for bulk-heterojunction solar cells
Longo L, Carbonera C, Pellegrino A, Perin N, Schimperna G, Tacca A, Po R
Solar Energy Materials and Solar Cells, 97, 139, 2012 |
| 5 |
Ab initio study of the selective alkylation of m-cresol with tert-butanol catalyzed by SO3H-functionalized ionic liquids
Zhou JX, Liu XM, Zhang SG, Mao JB, Guo XW
Catalysis Today, 149(1-2), 232, 2010 |
| 6 |
Effect of substituents on the hydrodechlorination reactivity of para-substituted chlorobenzenes
Konuma K, Kameda N
Journal of Molecular Catalysis A-Chemical, 178(1-2), 239, 2002 |
| 7 |
Adsorptive interaction of certain beta-lactam antibiotics in aqueous solution: Interpretation by frontier orbital theory
Dutta M, Dutta NN, Bhattacharyya KG
Journal of Chemical Engineering of Japan, 33(2), 303, 2000 |
| 8 |
Spin-Densities and Polymerizabilities of Aniline Derivatives Deduced from Density-Functional Calculations
Daprano G, Proynov E, Leboeuf M, Leclerc M, Salahub DR
Journal of the American Chemical Society, 118(40), 9736, 1996 |
