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Journal of Molecular Graphics & Modelling|May 20, 2014
Boosting sensitivity of boron nitride nanotube (BNNT) to nitrogen dioxide by Fe encapsulationYu-qing Zhang, Yue-Jie Liu, Yan-ling Liu, et al.Journal of Molecular Graphics & Modelling|August 22, 2022
A deep learning method for predicting molecular properties and compound-protein interactionsJun Ma, Ruisheng Zhang, Tongfeng Li, et al.Journal of Molecular Graphics & Modelling|August 15, 2022
Molecular simulations of the adsorption of aniline from waste-waterAlhadji Malloum, Jeanet ConradieJournal of Molecular Graphics & Modelling|August 18, 2022
Theoretical investigation of the titanium-nitrogen heterofullerenes evolved from the smallest fullereneMustafa M Kadhim, Evan Abdulkareem Mahmood, Vahideh Abbasi, et al.Journal of Molecular Graphics & Modelling|September 18, 2021
Extremely large static and dynamic nonlinear optical response of small superalkali clusters NM3M' (M, M'=Li, Na, K)Atazaz Ahsin, Khurshid AyubJournal of Molecular Graphics & Modelling|March 16, 2023
Exploring the peri- and stereo- selectivities of the cycloaddition reaction of 2-(2- dimethylaminovinyl)-1-benzopyran-4-one with N-phenylmaleimide (NPM) and dimethylacetylenedicarboxylate (DMAD) - A DFT studyRichmond Arhin, Isaac Ofori, Anthony Fosu, et al.Journal of Molecular Graphics & Modelling|March 24, 2023
NoiseMol: A noise-robusted data augmentation via perturbing noise for molecular property predictionJing Jiang, Ruisheng Zhang, Yongna Yuan, et al.Journal of Molecular Graphics & Modelling|March 26, 2023
Effects of pressure on microstructure evolution of liquid Fe-S-Bi alloy during rapid solidification: A molecular dynamics studyZhanyu Qi, Fazhan Wang, Yuanjun Wang, et al.Journal of Molecular Graphics & Modelling|March 20, 2023
DFT based investigations for the structural and electronic properties of coved zigzag BP nanoribbonsAnkita Nemu, Neeraj K JaiswalPageof 408