Issue Date | Title | Author(s) | Relation | scopus | WOS | Fulltext/Archive link |
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2019 | Mechano-chemical stability and water effect on gas selectivity in mixed-metal zeolitic imidazolate frameworks: a systematic investigation from van der Waals corrected density functional theory | Diem Thi-Xuan Dang; Huong Thi-Diem Nguyen; Nam Thoai; Jer-Lai Kuo ; Nhung Tuyet Thi Nguyen; Duc Nguyen-Manh | Physical Chemistry Chemical Physics 22(3), 1598-1610 | |||
2020 | The electronic structures and magnetic properties of mixed-valence Fe-based metal–organic VNU-15 frameworks: a theoretical study from linear response DFT+ U calculations | Diem Thi-Xuan Dang; Hieu Cao Dong; Yoshiyuki Kawazoe; Jer-Lai Kuo ; Duc Nguyen-Manh | RSC Advances 10, 34690-34701 |