Adsorption studies of nucleobases on ε-arsenene nanosheet based on first-principles research

Journal of Molecular Graphics and Modelling ◽

10.1016/j.jmgm.2020.107827 ◽

2021 ◽

Vol 103 ◽

pp. 107827

Author(s):

V. Nagarajan ◽

S. Sarvaka ◽

R. Chandiramouli

Keyword(s):

First Principles ◽

Adsorption Studies

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Dimethyl and ethyl methyl ether adsorption studies on β-antimonene nanosheets – a first-principles study

Molecular Simulation ◽

10.1080/08927022.2020.1822527 ◽

2020 ◽

Vol 46 (17) ◽

pp. 1354-1361

Author(s):

V. Nagarajan ◽

R. Chandiramouli

Keyword(s):

Methyl Ether ◽

First Principles ◽

Adsorption Studies ◽

First Principles Study ◽

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Halomethane Adsorption Studies on Silicane Sheets: A First-Principles Perception

Journal of Inorganic and Organometallic Polymers and Materials ◽

10.1007/s10904-020-01488-8 ◽

2020 ◽

Vol 30 (8) ◽

pp. 3263-3275 ◽

Author(s):

R. Bhuvaneswari ◽

V. Nagarajan ◽

R. Chandiramouli

Keyword(s):

First Principles ◽

Adsorption Studies

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Molecular adsorption studies of benzidine on novel Kagome antimonene nanosheets - Insights based on first-principles DFT calculations

Journal of Molecular Liquids ◽

10.1016/j.molliq.2020.113972 ◽

2020 ◽

Vol 318 ◽

pp. 113972 ◽

Author(s):

V. Nagarajan ◽

R. Chandiramouli

Keyword(s):

Dft Calculations ◽

First Principles ◽

Molecular Adsorption ◽

Adsorption Studies

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Molecular adsorption studies of formaldehyde and methanol on novel twisted bilayer beta phosphorene sheets – a first-principles investigation

Molecular Physics ◽

10.1080/00268976.2021.1966535 ◽

2021 ◽

pp. e1966535

Author(s):

V. Nagarajan ◽

R. Chandiramouli

Keyword(s):

First Principles ◽

Molecular Adsorption ◽

Adsorption Studies

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Chlorobenzene and 1, 4-dichlorobenzene adsorption studies on θ-Arsenene nanosheet – a first-principles analysis

Molecular Physics ◽

10.1080/00268976.2021.1936248 ◽

2021 ◽

pp. e1936248

Author(s):

V. Nagarajan ◽

R. Chandiramouli

Keyword(s):

First Principles ◽

Adsorption Studies

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Surface adsorption studies of benzyl bromide and bromobenzyl cyanide vapours on black phosphorene nanosheets – a first-principles perception

Molecular Physics ◽

10.1080/00268976.2020.1737744 ◽

2020 ◽

Vol 118 (16) ◽

pp. e1737744 ◽

Author(s):

J. Princy Maria ◽

R. Bhuvaneswari ◽

V. Nagarajan ◽

R. Chandiramouli

Keyword(s):

First Principles ◽

Surface Adsorption ◽

Benzyl Bromide ◽

Adsorption Studies ◽

Black Phosphorene

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Adsorption studies of alcohol molecules on monolayer MoS 2 nanosheet—A first-principles insights

Applied Surface Science ◽

10.1016/j.apsusc.2017.04.008 ◽

2017 ◽

Vol 413 ◽

pp. 109-117 ◽

Author(s):

V. Nagarajan ◽

R. Chandiramouli

Keyword(s):

First Principles ◽

Adsorption Studies

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Adamsite and chloropicrin molecular adsorption studies on novel green phosphorene nanotube – First-principles investigation

Chemical Physics ◽

10.1016/j.chemphys.2020.110782 ◽

2020 ◽

Vol 535 ◽

pp. 110782 ◽

Author(s):

V. Nagarajan ◽

R. Chandiramouli

Keyword(s):

First Principles ◽

Molecular Adsorption ◽

Adsorption Studies

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Adsorption studies of trimethyl amine and n-butyl amine vapors on stanene nanotube molecular device – A first-principles study

Chemical Physics ◽

10.1016/j.chemphys.2017.12.003 ◽

2018 ◽

Vol 501 ◽

pp. 78-85 ◽

Author(s):

R. Bhuvaneswari ◽

V. Nagarajan ◽

R. Chandiramouli

Keyword(s):

First Principles ◽

Molecular Device ◽

Adsorption Studies ◽

First Principles Study ◽

Butyl Amine ◽

Trimethyl Amine

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Adsorption studies of 2,3-butanedione and acetic acid on ζ-phosphorene sheets based on the first-principles study

Computational and Theoretical Chemistry ◽

10.1016/j.comptc.2021.113548 ◽

2021 ◽

pp. 113548

Author(s):

M.S. Jyothi ◽

V. Nagarajan ◽

R. Chandiramouli

Keyword(s):

Acetic Acid ◽

First Principles ◽

Adsorption Studies ◽

First Principles Study

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