S
Siraj Ud Daula Shamim
Researcher at Mawlana Bhashani Science and Technology University
Publications - 15
Citations - 212
Siraj Ud Daula Shamim is an academic researcher from Mawlana Bhashani Science and Technology University. The author has contributed to research in topics: Adsorption & Chemistry. The author has an hindex of 4, co-authored 8 publications receiving 39 citations.
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Journal ArticleDOI
First-principles study of the adsorption of chlormethine anticancer drug on C24, B12N12 and B12C6N6 nanocages
Md. Rakib Hossain,Md. Mehade Hasan,Siraj Ud Daula Shamim,Tahmina Ferdous,Md. Abul Hossain,Farid Ahmed +5 more
TL;DR: In this paper, the chlormethine (CM) drug adsorption on C24, B12C6N6 and B12N12 nanocages has been investigated by using density functional theory at B3LYP/6-31G(d,p) method.
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A DFT study on the geometrical structures, electronic, and spectroscopic properties of inverse sandwich monocyclic boron nanoclusters ConBm (n = 1.2; m = 6–8)
Siraj Ud Daula Shamim,Tashrifa Hussain,Rakib Hossian,Kamal Hossain,Farid Ahmed,Tahmina Ferdous,Abul Hossain +6 more
TL;DR: A study on the structural, electronic, magnetic, and spectroscopic properties of Co-centered inverted sandwich monocyclic boron nanoclusters with pyramidal, CoBn, and bi-pyramides, Co2Bn shapes suggests that all the global minima structures have stable planar or quasiplanar symmetrical cyclic motif.
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Theoretical investigation of emodin conjugated doped B12N12 nanocage by means of DFT, QTAIM and PCM analysis
Siraj Ud Daula Shamim,Helal Miah,Rakib Hossain,Mehade Hasan,Kamal Hossain,Abul Hossain,Farid Ahmed +6 more
TL;DR: In this paper, the surface modified nanomaterials are considered effective drug carriers due to their high electronic sensitivity and reactivity towards various drug molecules, and deeply scrutinized the interactions of these nanocages towards emodin (ED) drug via DFT calculations.
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Adsorption behavior of cisplatin anticancer drug on the pristine, Al- and Ga-doped BN nanosheets: A comparative DFT study
Afiya Akter Piya,Siraj Ud Daula Shamim,Md. Nasir Uddin,K.N. Munny,Ariful Alam,Md. Kamal Hossain,Farid Ahmed +6 more
TL;DR: In this article, first-principles calculations based on DFT have been carried out to investigate the adsorption behavior of cisplatin (CP) drug on the pristine BN, Al-doped BN (AlBN), and Ga-Doped Bn (GaBN) nanosheets in gas and water media.
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In-plane graphene/boron nitride heterostructures and their potential application as toxic gas sensors
TL;DR: In this paper, the structural and electronic properties of pristine graphene (PG), pristine boron nitride (h-BN), and their in-plane heterostructures employing B3LYP and dispersion-corrected van der Waals functional WB97XD with the 6-311G (d, p) basis set were investigated.