Molecular adsorption studies of dimethylamine and trimethylamine on beta antimonide phosphorus nanotube—a first-principles perspective
M. Vijay Balaji,
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R. Chandiramouli,
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V. Nagarajan
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et al.
Structural Chemistry,
Journal Year:
2025,
Volume and Issue:
unknown
Published: Jan. 3, 2025
Language: Английский
Superprismane carbon network as a sensing element for naphthylamine and toluidine molecules based on first-principles perspectives
M. S. V. Naga Jyothi,
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V. Nagarajan,
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R. Chandiramouli
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et al.
Structural Chemistry,
Journal Year:
2025,
Volume and Issue:
unknown
Published: Jan. 28, 2025
Language: Английский
First-principles calculations on the mechanical, electronic and thermodynamic properties of t-C88 carbon allotrope under high pressure
P. Arjun,
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V. Nagarajan,
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R. Chandiramouli
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et al.
Physica B Condensed Matter,
Journal Year:
2024,
Volume and Issue:
unknown, P. 416748 - 416748
Published: Nov. 1, 2024
Language: Английский
Aldehyde adsorption studies on α‑arsenic phosphorus monolayer – A first-principles investigation
M. Vijay Balaji,
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V. Nagarajan,
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R. Chandiramouli
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et al.
Computational and Theoretical Chemistry,
Journal Year:
2025,
Volume and Issue:
unknown, P. 115162 - 115162
Published: March 1, 2025
Language: Английский
Enhanced sensitivity in bromochlorodifluoromethane detection: a comparative study of B12N12 and B12P12 nanocages
Ayesha Abrar,
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Qazi Muhammad Ahmed,
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Farrah Arshad
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et al.
Adsorption,
Journal Year:
2025,
Volume and Issue:
31(4)
Published: March 27, 2025
Language: Английский
Phosphoborane nanotube as a sensing material towards benzaldehyde and benzoic acid – a DFT study
Rajamahanthi Tejaswini,
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V. Nagarajan,
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R. Chandiramouli
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et al.
Structural Chemistry,
Journal Year:
2025,
Volume and Issue:
unknown
Published: April 8, 2025
Language: Английский
Unveiling of Bio-Inspired Synthesis, Characterization, DFT calculations, Molecular Modeling of Silver (Ag/Ag2O) Nanocomposite: A Promising Sustainable Material against Human breast Cancer
R. Kavitha,
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M. Srinivas,
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Prashantha Karunakar
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et al.
Tetrahedron Green Chem,
Journal Year:
2025,
Volume and Issue:
unknown, P. 100078 - 100078
Published: April 1, 2025
Language: Английский
Enhanced VOCs adsorption on Group VIII transition metal-doped MoS2: A DFT study
Chemical Physics,
Journal Year:
2024,
Volume and Issue:
unknown, P. 112497 - 112497
Published: Oct. 1, 2024
Language: Английский
−DFT study of the adsorption of temozolamide anticancer drugs on the TM-adsorbed WSe2 nanocarriers: Applications to drug delivery systems
Farag M. A. Altalbawy,
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Uday Abdul‐Reda Hussein,
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Shelesh krishna saraswat
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et al.
Computational and Theoretical Chemistry,
Journal Year:
2024,
Volume and Issue:
1243, P. 114974 - 114974
Published: Nov. 9, 2024
Language: Английский
Exploring the fascinating interplay of epigenetically modified DNA bases with two dimensional bare and P-doped Si2BN and BN sheets for biosensing applications: A compelling DFT perspective
Akilesh Muralidharan,
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Divyakaaviri Subramani,
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Deepak Arumugam
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et al.
International Journal of Biological Macromolecules,
Journal Year:
2024,
Volume and Issue:
unknown, P. 137032 - 137032
Published: Oct. 1, 2024
Language: Английский