Chemical bonding and tunable adsorption of volatile formaldehyde on B and N decorated antimonene: first-principles insights DOI
Muhammad Mushtaq, Zheng Chang, M.A. Khan

et al.

Adsorption, Journal Year: 2024, Volume and Issue: unknown

Published: Sept. 6, 2024

Language: Английский

Molecular adsorption studies of dimethylamine and trimethylamine on beta antimonide phosphorus nanotube—a first-principles perspective DOI Creative Commons

M. Vijay Balaji,

R. Chandiramouli,

V. Nagarajan

et al.

Structural Chemistry, Journal Year: 2025, Volume and Issue: unknown

Published: Jan. 3, 2025

Language: Английский

Citations

1
Superprismane carbon network as a sensing element for naphthylamine and toluidine molecules based on first-principles perspectives DOI

M. S. V. Naga Jyothi,

V. Nagarajan,

R. Chandiramouli

et al.

Structural Chemistry, Journal Year: 2025, Volume and Issue: unknown

Published: Jan. 28, 2025

Language: Английский

Citations

1
First principles studies on the interaction properties of anthracene, fluoranthene, and phenanthrene on hydrogenated TE-C36 carbon network DOI

M. S. V. Naga Jyothi,

V. Nagarajan,

R. Chandiramouli

et al.

Structural Chemistry, Journal Year: 2024, Volume and Issue: unknown

Published: Oct. 18, 2024

Language: Английский

Citations

7
Molecular adsorption of chloromethane and vinyl chloride on square lattice net phosphorene – A first-principles study DOI

V. Nagarajan,

R. Bhuvaneswari,

R. Chandiramouli

et al.

Computational and Theoretical Chemistry, Journal Year: 2024, Volume and Issue: unknown, P. 114996 - 114996

Published: Nov. 1, 2024

Language: Английский

Citations

6
First-principles calculations on the mechanical, electronic and thermodynamic properties of t-C88 carbon allotrope under high pressure DOI

P. Arjun,

V. Nagarajan,

R. Chandiramouli

et al.

Physica B Condensed Matter, Journal Year: 2024, Volume and Issue: unknown, P. 416748 - 416748

Published: Nov. 1, 2024

Language: Английский

Citations

4
Aldehyde adsorption studies on α‑arsenic phosphorus monolayer – A first-principles investigation DOI

M. Vijay Balaji,

V. Nagarajan,

R. Chandiramouli

et al.

Computational and Theoretical Chemistry, Journal Year: 2025, Volume and Issue: unknown, P. 115162 - 115162

Published: March 1, 2025

Language: Английский

Citations

0
Enhanced sensitivity in bromochlorodifluoromethane detection: a comparative study of B12N12 and B12P12 nanocages DOI

Ayesha Abrar,

Qazi Muhammad Ahmed,

Farrah Arshad

et al.

Adsorption, Journal Year: 2025, Volume and Issue: 31(4)

Published: March 27, 2025

Language: Английский

Citations

0
Phosphoborane nanotube as a sensing material towards benzaldehyde and benzoic acid – a DFT study DOI

Rajamahanthi Tejaswini,

V. Nagarajan,

R. Chandiramouli

et al.

Structural Chemistry, Journal Year: 2025, Volume and Issue: unknown

Published: April 8, 2025

Language: Английский

Citations

0
Insights into bismuthene and antimonene as cisplatin drug carriers: A theoretical comparative investigation DOI

Swera Khalid,

Sawera Ramzan,

Saleh S. Alarfaji

et al.

Chemical Physics, Journal Year: 2024, Volume and Issue: unknown, P. 112460 - 112460

Published: Sept. 1, 2024

Language: Английский

Citations

2
−DFT study of the adsorption of temozolamide anticancer drugs on the TM-adsorbed WSe2 nanocarriers: Applications to drug delivery systems DOI
Farag M. A. Altalbawy,

Uday Abdul‐Reda Hussein,

Shelesh krishna saraswat

et al.

Computational and Theoretical Chemistry, Journal Year: 2024, Volume and Issue: 1243, P. 114974 - 114974

Published: Nov. 9, 2024

Language: Английский

Citations

2