dft calculation

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1
Integrating the (311) facet of MnO and the fuctional groups of poly(m-phenylenediamine) in core-shell MnO@poly(m-phenylenediamine) adsorbent to remove Pb ions from water.
Xiong, Ting;Yuan, Xingzhong;Wang, Hou;Jiang, Longbo;Wu, Zhibin;Wang, Han;Cao, Xuyang;
2020 Journal of hazardous materials DOI: S0304-3894(20)30142-... 193 views
2
Terahertz spectroscopic characterizations and DFT calculations of carbamazepine cocrystals with nicotinamide, saccharin and fumaric acid.
Zhou, Qi;Shen, Yun;Li, Yin;Xu, Li;Cai, Yingxiang;Deng, Xiaohua;
2020 spectrochimica acta part a, molecular and biomolec... DOI: S1386-1425(20)30324-... 219 views

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spectrochimica acta part a, molecular and biomolecular spectroscopy
ISSN: 1873-3557 674 views
Journal of hazardous materials
ISSN: 1873-3336 1,396 views

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heavy metals adsorption poly(m-phenylenediamine) mno(2) carbamazepine cocrystal saccharin terahertz spectroscopy fumaric acid lattice vibration nicotinamide